CID 2802

Clonazepam

Structural Information

Molecular Formula
C15H10ClN3O3
SMILES
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
InChI
InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
InChIKey
DGBIGWXXNGSACT-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3658
References

47437
Patents

315.04108 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.04836 170.0
[M+Na]+ 338.03030 178.0
[M-H]- 314.03380 174.9
[M+NH4]+ 333.07490 181.5
[M+K]+ 354.00424 173.2
[M+H-H2O]+ 298.03834 165.8
[M+HCOO]- 360.03928 184.7
[M+CH3COO]- 374.05493 197.6
[M+Na-2H]- 336.01575 176.8
[M]+ 315.04053 166.2
[M]- 315.04163 166.2
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