CID 135641

75775-83-6

Structural Information

Molecular Formula
C18H17N3O2S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)NC2=C(C=NC3=CC=CC=C32)C=C
InChI
InChI=1S/C18H17N3O2S/c1-3-13-12-19-17-7-5-4-6-16(17)18(13)20-14-8-10-15(11-9-14)21-24(2,22)23/h3-12,21H,1H2,2H3,(H,19,20)
InChIKey
ZZNIKXANNWHDKQ-UHFFFAOYSA-N
Compound name
N-[4-[(3-ethenylquinolin-4-yl)amino]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.10416 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11144 177.1
[M+Na]+ 362.09338 185.5
[M-H]- 338.09688 183.4
[M+NH4]+ 357.13798 190.1
[M+K]+ 378.06732 178.6
[M+H-H2O]+ 322.10142 168.5
[M+HCOO]- 384.10236 194.8
[M+CH3COO]- 398.11801 213.8
[M+Na-2H]- 360.07883 183.8
[M]+ 339.10361 179.0
[M]- 339.10471 179.0
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.