CID 423996

Pseudourea, 2-methyl-3-(5,6,7,8-tetrahydro-1-naphthyl)-2-thio-, hydriodide

Structural Information

Molecular Formula
C12H16N2S
SMILES
CSC(=NC1=CC=CC2=C1CCCC2)N
InChI
InChI=1S/C12H16N2S/c1-15-12(13)14-11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3,(H2,13,14)
InChIKey
OIYCTDGBKHFBNB-UHFFFAOYSA-N
Compound name
methyl N'-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.10342 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11070 146.6
[M+Na]+ 243.09264 152.1
[M-H]- 219.09614 151.2
[M+NH4]+ 238.13724 166.4
[M+K]+ 259.06658 148.5
[M+H-H2O]+ 203.10068 140.0
[M+HCOO]- 265.10162 164.0
[M+CH3COO]- 279.11727 193.7
[M+Na-2H]- 241.07809 150.2
[M]+ 220.10287 144.2
[M]- 220.10397 144.2
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.