CID 64919

3'-amidino-alpha-(p-toluenesulfonamido)hydrocinnamanilide

Structural Information

Molecular Formula
C23H24N4O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=N)N
InChI
InChI=1S/C23H24N4O3S/c1-16-10-12-20(13-11-16)31(29,30)27-21(14-17-6-3-2-4-7-17)23(28)26-19-9-5-8-18(15-19)22(24)25/h2-13,15,21,27H,14H2,1H3,(H3,24,25)(H,26,28)
InChIKey
WPCPYIPHLGNKHP-UHFFFAOYSA-N
Compound name
N-(3-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 200.7
[M+Na]+ 459.14614 209.4
[M+NH4]+ 454.19074 205.5
[M+K]+ 475.12008 202.7
[M-H]- 435.14964 206.4
[M+Na-2H]- 457.13159 209.2
[M]+ 436.15637 203.6
[M]- 436.15747 203.6
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.