CID 2997

Nordazepam

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKey
AKPLHCDWDRPJGD-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

559
References

6736
Patents

270.056 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 158.6
[M+Na]+ 293.04522 173.3
[M+NH4]+ 288.08982 166.7
[M+K]+ 309.01916 166.0
[M-H]- 269.04872 162.3
[M+Na-2H]- 291.03067 167.2
[M]+ 270.05545 162.2
[M]- 270.05655 162.2
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

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