CID 11546761

Chembl202941

Structural Information

Molecular Formula
C25H23N3O5
SMILES
COC1=CC=CC=C1C(=O)NC2C(=O)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4)OC)OC
InChI
InChI=1S/C25H23N3O5/c1-31-19-12-8-7-11-16(19)24(29)28-23-25(30)26-18-14-21(33-3)20(32-2)13-17(18)22(27-23)15-9-5-4-6-10-15/h4-14,23H,1-3H3,(H,26,30)(H,28,29)
InChIKey
QSOFWUGUATYHBX-UHFFFAOYSA-N
Compound name
N-(7,8-dimethoxy-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.16376 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17104 209.5
[M+Na]+ 468.15298 215.4
[M-H]- 444.15648 217.6
[M+NH4]+ 463.19758 215.2
[M+K]+ 484.12692 216.3
[M+H-H2O]+ 428.16102 198.6
[M+HCOO]- 490.16196 226.1
[M+CH3COO]- 504.17761 232.3
[M+Na-2H]- 466.13843 210.9
[M]+ 445.16321 209.6
[M]- 445.16431 209.6
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.