CID 4041

Medazepam

Structural Information

Molecular Formula
C16H15ClN2
SMILES
CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
InChIKey
YLCXGBZIZBEVPZ-UHFFFAOYSA-N
Compound name
7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

172
References

5727
Patents

270.09238 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09966 160.6
[M+Na]+ 293.08160 176.1
[M+NH4]+ 288.12620 169.7
[M+K]+ 309.05554 167.8
[M-H]- 269.08510 165.4
[M+Na-2H]- 291.06705 170.0
[M]+ 270.09183 164.8
[M]- 270.09293 164.8
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