CID 16074056

Chembl380130

Structural Information

Molecular Formula
C24H21N3O4
SMILES
COC1=CC2=C(C=C1)NC(=O)C(N=C2C3=CC=CC=C3)NC(=O)C4=CC=CC=C4OC
InChI
InChI=1S/C24H21N3O4/c1-30-16-12-13-19-18(14-16)21(15-8-4-3-5-9-15)26-22(24(29)25-19)27-23(28)17-10-6-7-11-20(17)31-2/h3-14,22H,1-2H3,(H,25,29)(H,27,28)
InChIKey
UEKQGBYCWOKOLR-UHFFFAOYSA-N
Compound name
2-methoxy-N-(7-methoxy-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

415.1532 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.16048 202.2
[M+Na]+ 438.14242 208.0
[M-H]- 414.14592 210.1
[M+NH4]+ 433.18702 209.0
[M+K]+ 454.11636 207.9
[M+H-H2O]+ 398.15046 191.6
[M+HCOO]- 460.15140 219.1
[M+CH3COO]- 474.16705 210.0
[M+Na-2H]- 436.12787 204.6
[M]+ 415.15265 200.3
[M]- 415.15375 200.3
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.