CID 5279341

Schembl642107

Structural Information

Molecular Formula
C24H21N3O4
SMILES
COC1=CC(=C(C=C1)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)OC
InChI
InChI=1S/C24H21N3O4/c1-30-16-12-13-18(20(14-16)31-2)23(28)27-22-24(29)25-19-11-7-6-10-17(19)21(26-22)15-8-4-3-5-9-15/h3-14,22H,1-2H3,(H,25,29)(H,27,28)
InChIKey
ONKFIXJZDHICMX-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-N-(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

26
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

patents stripe