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]+ 255.116176 154.8
[M+Na]+ 277.098118 160.8
[M-H]- 253.101624 155.8
[M+NH4]+ 272.142723 171.0
[M+K]+ 293.072058 156.1
[M+H-H2O]+ 237.106160 148.4
[M+HCOO]- 299.107101 167.7
[M+CH3COO]- 313.122751 191.3
[M+Na-2H]- 275.083566 160.2
[M]+ 254.10835142 153.3
[M]- 254.10944858 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