CID 4617

Oxazolam

Structural Information

Molecular Formula
C18H17ClN2O2
SMILES
CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
InChI
InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKey
VCCZBYPHZRWKFY-UHFFFAOYSA-N
Compound name
10-chloro-2-methyl-11b-phenyl-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

20
References

3749
Patents

328.09787 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.105146 175.9
[M+Na]+ 351.087088 185.7
[M-H]- 327.090594 182.1
[M+NH4]+ 346.131693 191.2
[M+K]+ 367.061028 182.3
[M+H-H2O]+ 311.095130 167.4
[M+HCOO]- 373.096071 185.9
[M+CH3COO]- 387.111721 186.1
[M+Na-2H]- 349.072536 179.0
[M]+ 328.09732142 173.2
[M]- 328.09841858 173.2
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