CID 17608921

N-propyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CCCNS(=O)(=O)C1=CC2=C(C=C1)NCCC2
InChI
InChI=1S/C12H18N2O2S/c1-2-7-14-17(15,16)11-5-6-12-10(9-11)4-3-8-13-12/h5-6,9,13-14H,2-4,7-8H2,1H3
InChIKey
ZFXQLPZLRZAWJO-UHFFFAOYSA-N
Compound name
N-propyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.1089 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 154.8
[M+Na]+ 277.09812 160.8
[M-H]- 253.10162 155.8
[M+NH4]+ 272.14272 171.0
[M+K]+ 293.07206 156.1
[M+H-H2O]+ 237.10616 148.4
[M+HCOO]- 299.10710 167.7
[M+CH3COO]- 313.12275 191.3
[M+Na-2H]- 275.08357 160.2
[M]+ 254.10835 153.3
[M]- 254.10945 153.3
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