CID 5279345

Schembl641999

Structural Information

Molecular Formula
C24H21N3O3
SMILES
CC1=CC2=C(C=C1)C(=NC(C(=O)N2)NC(=O)C3=CC=CC=C3OC)C4=CC=CC=C4
InChI
InChI=1S/C24H21N3O3/c1-15-12-13-17-19(14-15)25-24(29)22(26-21(17)16-8-4-3-5-9-16)27-23(28)18-10-6-7-11-20(18)30-2/h3-14,22H,1-2H3,(H,25,29)(H,27,28)
InChIKey
QHKLEOGZJAVJLX-UHFFFAOYSA-N
Compound name
2-methoxy-N-(8-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

24
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

patents stripe