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]+ 437.16420 201.2
[M+Na]+ 459.14614 203.4
[M-H]- 435.14964 209.3
[M+NH4]+ 454.19074 208.3
[M+K]+ 475.12008 197.8
[M+H-H2O]+ 419.15418 191.1
[M+HCOO]- 481.15512 218.5
[M+CH3COO]- 495.17077 236.6
[M+Na-2H]- 457.13159 203.2
[M]+ 436.15637 198.9
[M]- 436.15747 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.