CID 33746

Ketazolam

Structural Information

Molecular Formula
C20H17ClN2O3
SMILES
CC1=CC(=O)N2CC(=O)N(C3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl)C
InChI
InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKey
PWAJCNITSBZRBL-UHFFFAOYSA-N
Compound name
11-chloro-2,8-dimethyl-12b-phenyl-6H-[1,3]oxazino[3,2-d][1,4]benzodiazepine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

27
References

4241
Patents

368.09277 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10005 185.2
[M+Na]+ 391.08199 196.4
[M-H]- 367.08549 192.9
[M+NH4]+ 386.12659 198.2
[M+K]+ 407.05593 194.8
[M+H-H2O]+ 351.09003 175.7
[M+HCOO]- 413.09097 195.5
[M+CH3COO]- 427.10662 195.5
[M+Na-2H]- 389.06744 189.4
[M]+ 368.09222 185.5
[M]- 368.09332 185.5
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