PubChemLite - Camlipixant (C23H24F2N4O4)

Structural Information

Molecular Formula

SMILES

CC1=CC2=NC(=C(N2C=C1)C[C@H]3CN(CCO3)C(=O)OC)C4=C(C=C(C=C4F)C(=O)NC)F

InChI

InChI=1S/C23H24F2N4O4/c1-13-4-5-29-18(11-15-12-28(6-7-33-15)23(31)32-3)21(27-19(29)8-13)20-16(24)9-14(10-17(20)25)22(30)26-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H,26,30)/t15-/m0/s1

InChIKey

SEHLMRJSQFAPCJ-HNNXBMFYSA-N

Compound name

methyl (2S)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

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]+	459.18385	211.7
[M+Na]+	481.16579	219.9
[M-H]-	457.16929	217.3
[M+NH4]+	476.21039	217.4
[M+K]+	497.13973	215.2
[M+H-H2O]+	441.17383	198.9
[M+HCOO]-	503.17477	224.7
[M+CH3COO]-	517.19042	237.0
[M+Na-2H]-	479.15124	208.1
[M]+	458.17602	212.9
[M]-	458.17712	213.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.18385

211.7

[M+Na]+

481.16579

219.9

[M-H]-

457.16929

217.3

[M+NH4]+

476.21039

217.4

[M+K]+

497.13973

215.2

[M+H-H2O]+

441.17383

198.9

[M+HCOO]-

503.17477

224.7

[M+CH3COO]-

517.19042

237.0

[M+Na-2H]-

479.15124

208.1

[M]+

458.17602

212.9

[M]-

458.17712

213.0

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

Camlipixant

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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