CID 5467026

Nsc646961

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C)\C2=CC3=CC=CC=C3N2C
InChI
InChI=1S/C18H19N3O2S/c1-13-8-10-16(11-9-13)24(22,23)20-19-14(2)18-12-15-6-4-5-7-17(15)21(18)3/h4-12,20H,1-3H3/b19-14-
InChIKey
HQWMFBYFDMCEDT-RGEXLXHISA-N
Compound name
4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1198 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.127076 180.2
[M+Na]+ 364.109018 189.8
[M-H]- 340.112524 188.9
[M+NH4]+ 359.153623 196.1
[M+K]+ 380.082958 184.6
[M+H-H2O]+ 324.117060 172.4
[M+HCOO]- 386.118001 200.7
[M+CH3COO]- 400.133651 215.7
[M+Na-2H]- 362.094466 184.3
[M]+ 341.11925142 185.8
[M]- 341.12034858 185.8
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.