CID 17925

Delorazepam

Structural Information

Molecular Formula
C15H10Cl2N2O
SMILES
C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl
InChI
InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
InChIKey
CHIFCDOIPRCHCF-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

87
References

1883
Patents

304.01703 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02431 163.2
[M+Na]+ 327.00625 174.6
[M-H]- 303.00975 167.1
[M+NH4]+ 322.05085 176.9
[M+K]+ 342.98019 171.3
[M+H-H2O]+ 287.01429 155.0
[M+HCOO]- 349.01523 172.4
[M+CH3COO]- 363.03088 174.0
[M+Na-2H]- 324.99170 168.1
[M]+ 304.01648 161.6
[M]- 304.01758 161.6
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

No patent data available for this compound.