CID 9873570

211311-66-9

Structural Information

Molecular Formula
C16H21NO2S2
SMILES
CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CSC=C2
InChI
InChI=1S/C16H21NO2S2/c1-12(2)21(18,19)17-10-13(3)14-4-6-15(7-5-14)16-8-9-20-11-16/h4-9,11-13,17H,10H2,1-3H3
InChIKey
QFAUPDBCVKBKSH-UHFFFAOYSA-N
Compound name
N-[2-(4-thiophen-3-ylphenyl)propyl]propane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

323.10138 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10866 175.9
[M+Na]+ 346.09060 182.2
[M-H]- 322.09410 182.3
[M+NH4]+ 341.13520 192.2
[M+K]+ 362.06454 177.1
[M+H-H2O]+ 306.09864 169.4
[M+HCOO]- 368.09958 187.8
[M+CH3COO]- 382.11523 206.5
[M+Na-2H]- 344.07605 174.6
[M]+ 323.10083 179.2
[M]- 323.10193 179.2
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