CID 24107

Clazolam

Structural Information

Molecular Formula
C18H17ClN2O
SMILES
CN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl
InChI
InChI=1S/C18H17ClN2O/c1-20-16-7-6-13(19)10-15(16)18-14-5-3-2-4-12(14)8-9-21(18)11-17(20)22/h2-7,10,18H,8-9,11H2,1H3
InChIKey
YAQKGZXXQNKEET-UHFFFAOYSA-N
Compound name
2-chloro-5-methyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

463
Patents

312.10294 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11022 169.8
[M+Na]+ 335.09216 184.3
[M+NH4]+ 330.13676 178.9
[M+K]+ 351.06610 176.3
[M-H]- 311.09566 173.3
[M+Na-2H]- 333.07761 175.0
[M]+ 312.10239 173.4
[M]- 312.10349 173.4
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