CID 5279370

Schembl644297

Structural Information

Molecular Formula
C25H23N3O3
SMILES
CCCOC1=CC=CC=C1C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C25H23N3O3/c1-2-16-31-21-15-9-7-13-19(21)24(29)28-23-25(30)26-20-14-8-6-12-18(20)22(27-23)17-10-4-3-5-11-17/h3-15,23H,2,16H2,1H3,(H,26,30)(H,28,29)
InChIKey
FZFBIJQQPYOEKT-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

413.17395 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.18123 203.0
[M+Na]+ 436.16317 207.9
[M-H]- 412.16667 210.3
[M+NH4]+ 431.20777 209.7
[M+K]+ 452.13711 206.4
[M+H-H2O]+ 396.17121 192.3
[M+HCOO]- 458.17215 219.4
[M+CH3COO]- 472.18780 210.3
[M+Na-2H]- 434.14862 205.5
[M]+ 413.17340 199.7
[M]- 413.17450 199.7
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