CID 5279405

Schembl643231

Structural Information

Molecular Formula
C21H16N4O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CC=N4
InChI
InChI=1S/C21H16N4O2/c26-20(17-12-6-7-13-22-17)25-19-21(27)23-16-11-5-4-10-15(16)18(24-19)14-8-2-1-3-9-14/h1-13,19H,(H,23,27)(H,25,26)
InChIKey
XFMCTHZUNVMWHT-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

356.12732 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13460 187.2
[M+Na]+ 379.11654 193.4
[M-H]- 355.12004 193.6
[M+NH4]+ 374.16114 194.7
[M+K]+ 395.09048 191.2
[M+H-H2O]+ 339.12458 176.0
[M+HCOO]- 401.12552 203.6
[M+CH3COO]- 415.14117 195.3
[M+Na-2H]- 377.10199 192.5
[M]+ 356.12677 181.5
[M]- 356.12787 181.5
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