PubChemLite - 1188407-45-5 (C19H21F2N5O3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(N=C1OC(F)F)C)NC2=NC(=CN(C2=O)[C@H](COC)C3CC3)C#N

InChI

InChI=1S/C19H21F2N5O3/c1-10-6-14(11(2)23-17(10)29-19(20)21)25-16-18(27)26(8-13(7-22)24-16)15(9-28-3)12-4-5-12/h6,8,12,15,19H,4-5,9H2,1-3H3,(H,24,25)/t15-/m1/s1

InChIKey

PJMUNXORSUNUCV-OAHLLOKOSA-N

Compound name

4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[[6-(difluoromethoxy)-2,5-dimethylpyridin-3-yl]amino]-5-oxopyrazine-2-carbonitrile

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]+	406.16853	193.1
[M+Na]+	428.15047	204.0
[M+NH4]+	423.19507	193.7
[M+K]+	444.12441	197.3
[M-H]-	404.15397	191.6
[M+Na-2H]-	426.13592	196.4
[M]+	405.16070	194.1
[M]-	405.16180	194.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.16853

193.1

[M+Na]+

428.15047

204.0

[M+NH4]+

423.19507

193.7

[M+K]+

444.12441

197.3

[M-H]-

404.15397

191.6

[M+Na-2H]-

426.13592

196.4

[M]+

405.16070

194.1

[M]-

405.16180

194.1

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

1188407-45-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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