CID 36754

Oxazepam hemisuccinate

Structural Information

Molecular Formula
C19H15ClN2O5
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OC(=O)CCC(=O)O
InChI
InChI=1S/C19H15ClN2O5/c20-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)22-19(18(26)21-14)27-16(25)9-8-15(23)24/h1-7,10,19H,8-9H2,(H,21,26)(H,23,24)
InChIKey
UCUOKZUJHTYPJT-UHFFFAOYSA-N
Compound name
4-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

386.06696 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.07424 182.9
[M+Na]+ 409.05618 190.5
[M-H]- 385.05968 186.7
[M+NH4]+ 404.10078 191.8
[M+K]+ 425.03012 190.2
[M+H-H2O]+ 369.06422 174.6
[M+HCOO]- 431.06516 193.6
[M+CH3COO]- 445.08081 213.2
[M+Na-2H]- 407.04163 184.7
[M]+ 386.06641 183.0
[M]- 386.06751 183.0
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