CID 6476839

Chembl32687

Structural Information

Molecular Formula
C19H24N2O3S
SMILES
CC(C)(C)C#C/C=C/CN(C1=CC=CC2=C1CCC(=O)N2)S(=O)(=O)C
InChI
InChI=1S/C19H24N2O3S/c1-19(2,3)13-6-5-7-14-21(25(4,23)24)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5+
InChIKey
YWYGUVKRRZDZDD-FNORWQNLSA-N
Compound name
N-[(E)-6,6-dimethylhept-2-en-4-ynyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.15076 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15804 196.4
[M+Na]+ 383.13998 203.9
[M-H]- 359.14348 197.1
[M+NH4]+ 378.18458 207.4
[M+K]+ 399.11392 197.6
[M+H-H2O]+ 343.14802 183.7
[M+HCOO]- 405.14896 201.5
[M+CH3COO]- 419.16461 218.7
[M+Na-2H]- 381.12543 196.5
[M]+ 360.15021 191.8
[M]- 360.15131 191.8
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.