CID 132344217

2137547-80-7

Structural Information

Molecular Formula
C17H22ClNO4S
SMILES
C1CCC2(CCN(C2C1)C(=O)OCC3=CC=CC=C3)CS(=O)(=O)Cl
InChI
InChI=1S/C17H22ClNO4S/c18-24(21,22)13-17-9-5-4-8-15(17)19(11-10-17)16(20)23-12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKey
QVHJFANBJXVBFQ-UHFFFAOYSA-N
Compound name
benzyl 3a-(chlorosulfonylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0958 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10308 182.5
[M+Na]+ 394.08502 192.0
[M+NH4]+ 389.12962 191.1
[M+K]+ 410.05896 184.0
[M-H]- 370.08852 183.6
[M+Na-2H]- 392.07047 187.7
[M]+ 371.09525 184.9
[M]- 371.09635 184.9
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.