CID 64918

92953-67-8

Structural Information

Molecular Formula
C23H24N4O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C23H24N4O3S/c1-16-7-13-20(14-8-16)31(29,30)27-21(15-17-5-3-2-4-6-17)23(28)26-19-11-9-18(10-12-19)22(24)25/h2-14,21,27H,15H2,1H3,(H3,24,25)(H,26,28)
InChIKey
BYJKCMHVXUDQPJ-UHFFFAOYSA-N
Compound name
N-(4-carbamimidoylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.15692 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.164196 201.2
[M+Na]+ 459.146138 203.4
[M-H]- 435.149644 209.3
[M+NH4]+ 454.190743 208.3
[M+K]+ 475.120078 197.8
[M+H-H2O]+ 419.154180 191.1
[M+HCOO]- 481.155121 218.5
[M+CH3COO]- 495.170771 236.6
[M+Na-2H]- 457.131586 203.2
[M]+ 436.15637142 198.9
[M]- 436.15746858 198.9
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.