CID 11736266

7-methanesulfonyl-2,3,4,5-tetrahydro-1h-3-benzazepine hydrochloride

Structural Information

Molecular Formula
C11H15NO2S
SMILES
CS(=O)(=O)C1=CC2=C(CCNCC2)C=C1
InChI
InChI=1S/C11H15NO2S/c1-15(13,14)11-3-2-9-4-6-12-7-5-10(9)8-11/h2-3,8,12H,4-7H2,1H3
InChIKey
LSIWGVDWJZZPPD-UHFFFAOYSA-N
Compound name
7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

225.08235 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 148.3
[M+Na]+ 248.07157 157.6
[M+NH4]+ 243.11617 155.7
[M+K]+ 264.04551 151.8
[M-H]- 224.07507 148.8
[M+Na-2H]- 246.05702 152.7
[M]+ 225.08180 150.2
[M]- 225.08290 150.2
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