CID 5279340

Schembl644213

Structural Information

Molecular Formula
C24H21N3O3
SMILES
CCOC1=CC=CC=C1C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C24H21N3O3/c1-2-30-20-15-9-7-13-18(20)23(28)27-22-24(29)25-19-14-8-6-12-17(19)21(26-22)16-10-4-3-5-11-16/h3-15,22H,2H2,1H3,(H,25,29)(H,27,28)
InChIKey
DWOPFUAVIKBHII-UHFFFAOYSA-N
Compound name
2-ethoxy-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

24
Patents

399.1583 Da
Monoisotopic Mass

3.9
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

literature stripe

Patent stripe

patents stripe