CID 5279122

Schembl644320

Structural Information

Molecular Formula
C23H19N3O2
SMILES
CC1=CC=CC=C1C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H19N3O2/c1-15-9-5-6-12-17(15)22(27)26-21-23(28)24-19-14-8-7-13-18(19)20(25-21)16-10-3-2-4-11-16/h2-14,21H,1H3,(H,24,28)(H,26,27)
InChIKey
HJSYJJZIBHWLSE-UHFFFAOYSA-N
Compound name
2-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

369.14774 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 191.9
[M+Na]+ 392.13696 197.9
[M-H]- 368.14046 199.6
[M+NH4]+ 387.18156 200.5
[M+K]+ 408.11090 195.9
[M+H-H2O]+ 352.14500 181.9
[M+HCOO]- 414.14594 208.9
[M+CH3COO]- 428.16159 200.2
[M+Na-2H]- 390.12241 195.3
[M]+ 369.14719 186.8
[M]- 369.14829 186.8
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