CID 601948

4-methoxy-n-{[(4-methoxyphenyl)amino](methylsulfanyl)methylidene}anilinium iodide

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OC)SC
InChI
InChI=1S/C16H18N2O2S/c1-19-14-8-4-12(5-9-14)17-16(21-3)18-13-6-10-15(20-2)11-7-13/h4-11H,1-3H3,(H,17,18)
InChIKey
JOMSSNQFOQDFPA-UHFFFAOYSA-N
Compound name
methyl N,N'-bis(4-methoxyphenyl)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1089 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 169.6
[M+Na]+ 325.09812 182.1
[M+NH4]+ 320.14272 178.1
[M+K]+ 341.07206 172.5
[M-H]- 301.10162 175.5
[M+Na-2H]- 323.08357 178.4
[M]+ 302.10835 173.5
[M]- 302.10945 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.