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 181.8
[M+Na]+ 373.09812 187.9
[M-H]- 349.10162 192.5
[M+NH4]+ 368.14272 194.6
[M+K]+ 389.07206 182.1
[M+H-H2O]+ 333.10616 172.3
[M+HCOO]- 395.10710 202.2
[M+CH3COO]- 409.12275 214.8
[M+Na-2H]- 371.08357 187.0
[M]+ 350.10835 182.6
[M]- 350.10945 182.6
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.