CID 423993

Pseudourea, 1,2-dimethyl-3-(4-methoxy-1-naphthyl)-2-thio-, hydriodide

Structural Information

Molecular Formula
C14H16N2OS
SMILES
CN=C(NC1=CC=C(C2=CC=CC=C21)OC)SC
InChI
InChI=1S/C14H16N2OS/c1-15-14(18-3)16-12-8-9-13(17-2)11-7-5-4-6-10(11)12/h4-9H,1-3H3,(H,15,16)
InChIKey
VFGSIURCNRGKRB-UHFFFAOYSA-N
Compound name
methyl N-(4-methoxynaphthalen-1-yl)-N'-methylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09833 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10561 157.8
[M+Na]+ 283.08755 170.2
[M+NH4]+ 278.13215 167.3
[M+K]+ 299.06149 160.5
[M-H]- 259.09105 162.6
[M+Na-2H]- 281.07300 164.9
[M]+ 260.09778 161.4
[M]- 260.09888 161.4
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.