CID 64917

Alpha-((p-amidinophenyl)sulfonamido)hydrocinnamanilide

Structural Information

Molecular Formula
C22H22N4O3S
SMILES
C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C22H22N4O3S/c23-21(24)17-11-13-19(14-12-17)30(28,29)26-20(15-16-7-3-1-4-8-16)22(27)25-18-9-5-2-6-10-18/h1-14,20,26H,15H2,(H3,23,24)(H,25,27)
InChIKey
ROBYQQXZRRFLEI-UHFFFAOYSA-N
Compound name
2-[(4-carbamimidoylphenyl)sulfonylamino]-N,3-diphenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.14127 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14855 195.8
[M+Na]+ 445.13049 204.4
[M+NH4]+ 440.17509 200.8
[M+K]+ 461.10443 197.7
[M-H]- 421.13399 201.5
[M+Na-2H]- 443.11594 204.8
[M]+ 422.14072 198.7
[M]- 422.14182 198.7
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.