CID 4177

Mexazolam

Structural Information

Molecular Formula
C18H16Cl2N2O2
SMILES
CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
InChI
InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKey
ANUCDXCTICZJRH-UHFFFAOYSA-N
Compound name
10-chloro-11b-(2-chlorophenyl)-3-methyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

22
References

1202
Patents

362.05887 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06615 181.4
[M+Na]+ 385.04809 193.0
[M-H]- 361.05159 187.0
[M+NH4]+ 380.09269 196.2
[M+K]+ 401.02203 189.0
[M+H-H2O]+ 345.05613 172.8
[M+HCOO]- 407.05707 186.7
[M+CH3COO]- 421.07272 191.2
[M+Na-2H]- 383.03354 183.3
[M]+ 362.05832 180.2
[M]- 362.05942 180.2
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