CID 5565915

31789-62-5

Structural Information

Molecular Formula
C20H18N2O3S
SMILES
COC1=CC=C(C=C1)N/C(=N/S(=O)(=O)C2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C20H18N2O3S/c1-25-18-14-12-17(13-15-18)21-20(16-8-4-2-5-9-16)22-26(23,24)19-10-6-3-7-11-19/h2-15H,1H3,(H,21,22)
InChIKey
MOIYVGMFBPFAQV-UHFFFAOYSA-N
Compound name
N'-(benzenesulfonyl)-N-(4-methoxyphenyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10382 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11110 185.1
[M+Na]+ 389.09304 190.9
[M-H]- 365.09654 195.7
[M+NH4]+ 384.13764 197.1
[M+K]+ 405.06698 185.9
[M+H-H2O]+ 349.10108 175.4
[M+HCOO]- 411.10202 205.7
[M+CH3COO]- 425.11767 216.9
[M+Na-2H]- 387.07849 190.6
[M]+ 366.10327 187.3
[M]- 366.10437 187.3
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.