CID 6475998

N-[2-[[(e)-styryl]amino]ethyl]isoquinoline-5-sulfonamide

Structural Information

Molecular Formula
C19H19N3O2S
SMILES
C1=CC=C(C=C1)/C=C/NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3
InChI
InChI=1S/C19H19N3O2S/c23-25(24,19-8-4-7-17-15-21-12-10-18(17)19)22-14-13-20-11-9-16-5-2-1-3-6-16/h1-12,15,20,22H,13-14H2/b11-9+
InChIKey
UFLUGCHWZOHWMZ-PKNBQFBNSA-N
Compound name
N-[2-[[(E)-2-phenylethenyl]amino]ethyl]isoquinoline-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

353.1198 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.127076 179.9
[M+Na]+ 376.109018 186.3
[M-H]- 352.112524 185.3
[M+NH4]+ 371.153623 191.9
[M+K]+ 392.082958 179.1
[M+H-H2O]+ 336.117060 170.8
[M+HCOO]- 398.118001 197.5
[M+CH3COO]- 412.133651 213.6
[M+Na-2H]- 374.094466 187.7
[M]+ 353.11925142 181.3
[M]- 353.12034858 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.