CID 5279343

Schembl643282

Structural Information

Molecular Formula
C24H21N3O4
SMILES
COC1=CC=CC(=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CC=C4OC
InChI
InChI=1S/C24H21N3O4/c1-30-16-9-7-8-15(14-16)21-17-10-3-5-12-19(17)25-24(29)22(26-21)27-23(28)18-11-4-6-13-20(18)31-2/h3-14,22H,1-2H3,(H,25,29)(H,27,28)
InChIKey
KIGWPKRFXAACBZ-UHFFFAOYSA-N
Compound name
2-methoxy-N-[5-(3-methoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
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