CID 5279159

Schembl644190

Structural Information

Molecular Formula
C24H21N3O3
SMILES
COC1=CC=CC(=C1)CC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C24H21N3O3/c1-30-18-11-7-8-16(14-18)15-21(28)26-23-24(29)25-20-13-6-5-12-19(20)22(27-23)17-9-3-2-4-10-17/h2-14,23H,15H2,1H3,(H,25,29)(H,26,28)
InChIKey
UDXLLPBXTDTOHS-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

399.1583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 198.9
[M+Na]+ 422.14752 204.1
[M-H]- 398.15102 206.4
[M+NH4]+ 417.19212 206.1
[M+K]+ 438.12146 202.9
[M+H-H2O]+ 382.15556 188.4
[M+HCOO]- 444.15650 215.6
[M+CH3COO]- 458.17215 206.5
[M+Na-2H]- 420.13297 201.9
[M]+ 399.15775 195.2
[M]- 399.15885 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.