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 196.1
[M+Na]+ 445.13049 197.9
[M-H]- 421.13399 204.0
[M+NH4]+ 440.17509 203.5
[M+K]+ 461.10443 192.4
[M+H-H2O]+ 405.13853 186.0
[M+HCOO]- 467.13947 213.8
[M+CH3COO]- 481.15512 232.4
[M+Na-2H]- 443.11594 199.3
[M]+ 422.14072 193.1
[M]- 422.14182 193.1
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.