CID 5664146

31789-53-4

Structural Information

Molecular Formula
C20H18N2O2S
SMILES
CC1=CC=C(C=C1)N/C(=N/S(=O)(=O)C2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C20H18N2O2S/c1-16-12-14-18(15-13-16)21-20(17-8-4-2-5-9-17)22-25(23,24)19-10-6-3-7-11-19/h2-15H,1H3,(H,21,22)
InChIKey
PMTLURKIZJTKED-UHFFFAOYSA-N
Compound name
N'-(benzenesulfonyl)-N-(4-methylphenyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1089 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11618 180.8
[M+Na]+ 373.09812 194.7
[M+NH4]+ 368.14272 188.9
[M+K]+ 389.07206 184.6
[M-H]- 349.10162 188.1
[M+Na-2H]- 371.08357 192.8
[M]+ 350.10835 185.4
[M]- 350.10945 185.4
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.