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]+ 261.105606 157.0
[M+Na]+ 283.087548 164.5
[M-H]- 259.091054 162.9
[M+NH4]+ 278.132153 175.9
[M+K]+ 299.061488 160.9
[M+H-H2O]+ 243.095590 149.9
[M+HCOO]- 305.096531 177.4
[M+CH3COO]- 319.112181 202.2
[M+Na-2H]- 281.072996 161.9
[M]+ 260.09778142 160.8
[M]- 260.09887858 160.8
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.