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 194.4
[M+Na]+ 413.10272 203.0
[M-H]- 389.10622 202.6
[M+NH4]+ 408.14732 204.1
[M+K]+ 429.07666 200.0
[M+H-H2O]+ 373.11076 183.7
[M+HCOO]- 435.11170 208.3
[M+CH3COO]- 449.12735 203.5
[M+Na-2H]- 411.08817 198.1
[M]+ 390.11295 194.7
[M]- 390.11405 194.7
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