CID 126571915

Gsk3494245

Structural Information

Molecular Formula
C21H23FN6O2
SMILES
C1CCN(C1)C(=O)NC2=CC(=C(C=C2)F)C3=NC4=NC=C(N4C=C3)N5CCOCC5
InChI
InChI=1S/C21H23FN6O2/c22-17-4-3-15(24-21(29)27-6-1-2-7-27)13-16(17)18-5-8-28-19(14-23-20(28)25-18)26-9-11-30-12-10-26/h3-5,8,13-14H,1-2,6-7,9-12H2,(H,24,29)
InChIKey
SAJUCKZZYFFICP-UHFFFAOYSA-N
Compound name
N-[4-fluoro-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

15
Patents

410.18665 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19393 194.5
[M+Na]+ 433.17587 200.2
[M-H]- 409.17937 201.0
[M+NH4]+ 428.22047 200.1
[M+K]+ 449.14981 194.6
[M+H-H2O]+ 393.18391 181.0
[M+HCOO]- 455.18485 206.4
[M+CH3COO]- 469.20050 201.5
[M+Na-2H]- 431.16132 192.2
[M]+ 410.18610 190.1
[M]- 410.18720 190.1
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