CID 213946

Brn 0900242

Structural Information

Molecular Formula
C23H19ClN2O2
SMILES
C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CCOC4=CC=CC=C4
InChI
InChI=1S/C23H19ClN2O2/c24-18-11-12-21-20(15-18)23(17-7-3-1-4-8-17)25-16-22(27)26(21)13-14-28-19-9-5-2-6-10-19/h1-12,15H,13-14,16H2
InChIKey
XQIMSFAQXXKCJT-UHFFFAOYSA-N
Compound name
7-chloro-1-(2-phenoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

390.1135 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12078 195.2
[M+Na]+ 413.10272 211.4
[M+NH4]+ 408.14732 202.8
[M+K]+ 429.07666 201.9
[M-H]- 389.10622 201.3
[M+Na-2H]- 411.08817 205.0
[M]+ 390.11295 199.9
[M]- 390.11405 199.9
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

patents stripe