PubChemLite - 6-[1-(4-cyanophenyl)-1h-pyrazol-5-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazine-2-carboxamide (C23H15F3N6O2)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)N)C3=CC=NN3C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H15F3N6O2/c1-13-19(18-9-10-29-32(18)16-7-5-14(12-27)6-8-16)30-20(21(28)33)22(34)31(13)17-4-2-3-15(11-17)23(24,25)26/h2-11H,1H3,(H2,28,33)

InChIKey

IKJNJNORSFGSID-UHFFFAOYSA-N

Compound name

6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	465.12813	210.0
[M+Na]+	487.11007	220.8
[M-H]-	463.11357	211.1
[M+NH4]+	482.15467	212.0
[M+K]+	503.08401	211.4
[M+H-H2O]+	447.11811	188.4
[M+HCOO]-	509.11905	220.0
[M+CH3COO]-	523.13470	214.8
[M+Na-2H]-	485.09552	206.7
[M]+	464.12030	201.5
[M]-	464.12140	201.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.12813

210.0

[M+Na]+

487.11007

220.8

[M-H]-

463.11357

211.1

[M+NH4]+

482.15467

212.0

[M+K]+

503.08401

211.4

[M+H-H2O]+

447.11811

188.4

[M+HCOO]-

509.11905

220.0

[M+CH3COO]-

523.13470

214.8

[M+Na-2H]-

485.09552

206.7

[M]+

464.12030

201.5

[M]-

464.12140

201.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

6-[1-(4-cyanophenyl)-1h-pyrazol-5-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazine-2-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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