CID 15539

Desmethylmedazepam

Structural Information

Molecular Formula
C15H13ClN2
SMILES
C1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H13ClN2/c16-12-6-7-14-13(10-12)15(18-9-8-17-14)11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKey
JZWOKDTXYPEJEW-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

256.07672 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08400 155.4
[M+Na]+ 279.06594 164.0
[M-H]- 255.06944 159.6
[M+NH4]+ 274.11054 170.0
[M+K]+ 295.03988 161.0
[M+H-H2O]+ 239.07398 147.3
[M+HCOO]- 301.07492 169.0
[M+CH3COO]- 315.09057 166.3
[M+Na-2H]- 277.05139 162.4
[M]+ 256.07617 151.3
[M]- 256.07727 151.3
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.