CID 13126006

N-ethyloxazepam

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
CCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H15ClN2O2/c1-2-20-14-9-8-12(18)10-13(14)15(19-16(21)17(20)22)11-6-4-3-5-7-11/h3-10,16,21H,2H2,1H3
InChIKey
OHSDHROCPILTFX-UHFFFAOYSA-N
Compound name
7-chloro-1-ethyl-3-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.0822 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 170.3
[M+Na]+ 337.07142 184.9
[M+NH4]+ 332.11602 177.6
[M+K]+ 353.04536 177.9
[M-H]- 313.07492 173.6
[M+Na-2H]- 335.05687 177.5
[M]+ 314.08165 173.8
[M]- 314.08275 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe