CID 37367

Camazepam

Structural Information

Molecular Formula
C19H18ClN3O3
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)N(C)C)C3=CC=CC=C3
InChI
InChI=1S/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3
InChIKey
PXBVEXGRHZFEOF-UHFFFAOYSA-N
Compound name
(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

10
References

1888
Patents

371.10367 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11095 183.4
[M+Na]+ 394.09289 192.6
[M-H]- 370.09639 191.2
[M+NH4]+ 389.13749 195.2
[M+K]+ 410.06683 193.5
[M+H-H2O]+ 354.10093 174.2
[M+HCOO]- 416.10187 198.7
[M+CH3COO]- 430.11752 221.6
[M+Na-2H]- 392.07834 185.8
[M]+ 371.10312 186.3
[M]- 371.10422 186.3
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