CID 10334942

Schembl2951434

Structural Information

Molecular Formula
C15H13FN4O2
SMILES
CONC(=O)C1=NC=C2C(=C1)N=CN2CC3=CC=C(C=C3)F
InChI
InChI=1S/C15H13FN4O2/c1-22-19-15(21)13-6-12-14(7-17-13)20(9-18-12)8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,19,21)
InChIKey
CAFFTWCPZPSABN-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)methyl]-N-methoxyimidazo[4,5-c]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

300.10226 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10954 165.9
[M+Na]+ 323.09148 176.1
[M-H]- 299.09498 169.3
[M+NH4]+ 318.13608 179.5
[M+K]+ 339.06542 171.1
[M+H-H2O]+ 283.09952 155.2
[M+HCOO]- 345.10046 187.4
[M+CH3COO]- 359.11611 177.3
[M+Na-2H]- 321.07693 171.4
[M]+ 300.10171 168.7
[M]- 300.10281 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe