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]+ 340.111436 177.1
[M+Na]+ 362.093378 185.5
[M-H]- 338.096884 183.4
[M+NH4]+ 357.137983 190.1
[M+K]+ 378.067318 178.6
[M+H-H2O]+ 322.101420 168.5
[M+HCOO]- 384.102361 194.8
[M+CH3COO]- 398.118011 213.8
[M+Na-2H]- 360.078826 183.8
[M]+ 339.10361142 179.0
[M]- 339.10470858 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.