CID 14396

Clobenzepam

Structural Information

Molecular Formula
C17H18ClN3O
SMILES
CN(C)CCN1C2=C(C=C(C=C2)Cl)NC3=CC=CC=C3C1=O
InChI
InChI=1S/C17H18ClN3O/c1-20(2)9-10-21-16-8-7-12(18)11-15(16)19-14-6-4-3-5-13(14)17(21)22/h3-8,11,19H,9-10H2,1-2H3
InChIKey
IDWVKNARDDZONS-UHFFFAOYSA-N
Compound name
2-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1062
Patents

315.11383 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12111 169.7
[M+Na]+ 338.10305 182.5
[M+NH4]+ 333.14765 177.3
[M+K]+ 354.07699 175.7
[M-H]- 314.10655 172.4
[M+Na-2H]- 336.08850 175.2
[M]+ 315.11328 172.6
[M]- 315.11438 172.6
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