CID 92401

Inabenfide

Structural Information

Molecular Formula
C19H15ClN2O2
SMILES
C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=NC=C3)O
InChI
InChI=1S/C19H15ClN2O2/c20-15-6-7-17(22-19(24)14-8-10-21-11-9-14)16(12-15)18(23)13-4-2-1-3-5-13/h1-12,18,23H,(H,22,24)
InChIKey
PFDCOZXELJAUTR-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9330
Patents

338.0822 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08948 176.7
[M+Na]+ 361.07142 183.3
[M-H]- 337.07492 183.5
[M+NH4]+ 356.11602 188.0
[M+K]+ 377.04536 176.6
[M+H-H2O]+ 321.07946 167.5
[M+HCOO]- 383.08040 192.9
[M+CH3COO]- 397.09605 186.6
[M+Na-2H]- 359.05687 180.5
[M]+ 338.08165 176.9
[M]- 338.08275 176.9
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