CID 623112

5571-65-3

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H15ClN2O/c1-2-20-15-9-8-13(18)10-14(15)17(19-11-16(20)21)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKey
PMOYAPWQLZTKJB-UHFFFAOYSA-N
Compound name
7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

298.08728 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 167.1
[M+Na]+ 321.07650 182.3
[M+NH4]+ 316.12110 175.3
[M+K]+ 337.05044 174.4
[M-H]- 297.08000 171.3
[M+Na-2H]- 319.06195 175.6
[M]+ 298.08673 171.0
[M]- 298.08783 171.0
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