PubChemLite - Ly3023703 (C23H22F5N5O2)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(N1)NC(=O)C2=C(N=CC(=C2)CNC(=O)C(C)C)C(F)F)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35)

InChIKey

BZYSILFNUIGABU-UHFFFAOYSA-N

Compound name

2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-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]+	496.17665	213.2
[M+Na]+	518.15859	219.1
[M-H]-	494.16209	212.4
[M+NH4]+	513.20319	216.6
[M+K]+	534.13253	212.3
[M+H-H2O]+	478.16663	198.8
[M+HCOO]-	540.16757	223.1
[M+CH3COO]-	554.18322	243.9
[M+Na-2H]-	516.14404	207.9
[M]+	495.16882	207.1
[M]-	495.16992	207.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.17665

213.2

[M+Na]+

518.15859

219.1

[M-H]-

494.16209

212.4

[M+NH4]+

513.20319

216.6

[M+K]+

534.13253

212.3

[M+H-H2O]+

478.16663

198.8

[M+HCOO]-

540.16757

223.1

[M+CH3COO]-

554.18322

243.9

[M+Na-2H]-

516.14404

207.9

[M]+

495.16882

207.1

[M]-

495.16992

207.1

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

Ly3023703

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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