CID 44603362

Solcitinib

Structural Information

Molecular Formula
C22H23N5O2
SMILES
CC1(CN(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC4=NC(=NN43)NC(=O)C5CC5)C
InChI
InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)
InChIKey
MPYACSQFXVMWNO-UHFFFAOYSA-N
Compound name
N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

1025
Patents

389.18518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19246 193.9
[M+Na]+ 412.17440 204.8
[M+NH4]+ 407.21900 198.0
[M+K]+ 428.14834 201.0
[M-H]- 388.17790 202.5
[M+Na-2H]- 410.15985 202.3
[M]+ 389.18463 197.9
[M]- 389.18573 197.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe