CID 93795

Lorazepam pivalate

Structural Information

Molecular Formula
C20H18Cl2N2O3
SMILES
CC(C)(C)C(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H18Cl2N2O3/c1-20(2,3)19(26)27-18-17(25)23-15-9-8-11(21)10-13(15)16(24-18)12-6-4-5-7-14(12)22/h4-10,18H,1-3H3,(H,23,25)
InChIKey
JFOCMCPAFDDCKV-UHFFFAOYSA-N
Compound name
[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.06946 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.07674 188.9
[M+Na]+ 427.05868 199.2
[M-H]- 403.06218 193.4
[M+NH4]+ 422.10328 199.2
[M+K]+ 443.03262 197.5
[M+H-H2O]+ 387.06672 180.7
[M+HCOO]- 449.06766 194.8
[M+CH3COO]- 463.08331 218.5
[M+Na-2H]- 425.04413 190.9
[M]+ 404.06891 190.5
[M]- 404.07001 190.5
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

No patent data available for this compound.