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]+ 354.12708 179.9
[M+Na]+ 376.10902 186.3
[M-H]- 352.11252 185.3
[M+NH4]+ 371.15362 191.9
[M+K]+ 392.08296 179.1
[M+H-H2O]+ 336.11706 170.8
[M+HCOO]- 398.11800 197.5
[M+CH3COO]- 412.13365 213.6
[M+Na-2H]- 374.09447 187.7
[M]+ 353.11925 181.3
[M]- 353.12035 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.