CID 63100519

1-methanesulfonyl-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine hydrochloride

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CS(=O)(=O)N1CCNCC2=CC=CC=C21
InChI
InChI=1S/C10H14N2O2S/c1-15(13,14)12-7-6-11-8-9-4-2-3-5-10(9)12/h2-5,11H,6-8H2,1H3
InChIKey
UWEOLAHTHQANQL-UHFFFAOYSA-N
Compound name
1-methylsulfonyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0776 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 148.5
[M+Na]+ 249.06682 157.8
[M+NH4]+ 244.11142 155.2
[M+K]+ 265.04076 152.4
[M-H]- 225.07032 148.3
[M+Na-2H]- 247.05227 152.7
[M]+ 226.07705 150.1
[M]- 226.07815 150.1
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.