CID 102697

Oxazepam acetate

Structural Information

Molecular Formula
C17H13ClN2O3
SMILES
CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C17H13ClN2O3/c1-10(21)23-17-16(22)19-14-8-7-12(18)9-13(14)15(20-17)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,19,22)
InChIKey
FYRWUTOZBRWYCS-UHFFFAOYSA-N
Compound name
(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

13
Patents

328.06146 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06874 171.0
[M+Na]+ 351.05068 180.4
[M-H]- 327.05418 176.1
[M+NH4]+ 346.09528 183.2
[M+K]+ 367.02462 179.2
[M+H-H2O]+ 311.05872 162.8
[M+HCOO]- 373.05966 184.1
[M+CH3COO]- 387.07531 181.5
[M+Na-2H]- 349.03613 174.8
[M]+ 328.06091 170.6
[M]- 328.06201 170.6
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