CID 42642654

Gdc-0623

Structural Information

Molecular Formula
C16H14FIN4O3
SMILES
C1=CC(=C(C=C1I)F)NC2=C(C=CC3=CN=CN32)C(=O)NOCCO
InChI
InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)
InChIKey
RFWVETIZUQEJEF-UHFFFAOYSA-N
Compound name
5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1938
Patents

456.00946 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.01674 185.7
[M+Na]+ 478.99868 187.1
[M-H]- 455.00218 181.9
[M+NH4]+ 474.04328 193.1
[M+K]+ 494.97262 188.0
[M+H-H2O]+ 439.00672 172.0
[M+HCOO]- 501.00766 202.4
[M+CH3COO]- 515.02331 220.7
[M+Na-2H]- 476.98413 178.3
[M]+ 456.00891 184.8
[M]- 456.01001 184.8
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