CID 16074057

2-methoxy-n-(7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

Structural Information

Molecular Formula
C24H21N3O3
SMILES
CC1=CC2=C(C=C1)NC(=O)C(N=C2C3=CC=CC=C3)NC(=O)C4=CC=CC=C4OC
InChI
InChI=1S/C24H21N3O3/c1-15-12-13-19-18(14-15)21(16-8-4-3-5-9-16)26-22(24(29)25-19)27-23(28)17-10-6-7-11-20(17)30-2/h3-14,22H,1-2H3,(H,25,29)(H,27,28)
InChIKey
LHGVBFSVYFDPBE-UHFFFAOYSA-N
Compound name
2-methoxy-N-(7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.1583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 199.6
[M+Na]+ 422.14752 205.7
[M-H]- 398.15102 207.5
[M+NH4]+ 417.19212 207.1
[M+K]+ 438.12146 204.6
[M+H-H2O]+ 382.15556 189.3
[M+HCOO]- 444.15650 216.3
[M+CH3COO]- 458.17215 207.6
[M+Na-2H]- 420.13297 201.8
[M]+ 399.15775 196.4
[M]- 399.15885 196.4
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

No patent data available for this compound.