CID 213946

2h-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-phenoxyethyl)-5-phenyl-

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]+ 391.120776 194.4
[M+Na]+ 413.102718 203.0
[M-H]- 389.106224 202.6
[M+NH4]+ 408.147323 204.1
[M+K]+ 429.076658 200.0
[M+H-H2O]+ 373.110760 183.7
[M+HCOO]- 435.111701 208.3
[M+CH3COO]- 449.127351 203.5
[M+Na-2H]- 411.088166 198.1
[M]+ 390.11295142 194.7
[M]- 390.11404858 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