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]+ 221.110696 146.6
[M+Na]+ 243.092638 152.1
[M-H]- 219.096144 151.2
[M+NH4]+ 238.137243 166.4
[M+K]+ 259.066578 148.5
[M+H-H2O]+ 203.100680 140.0
[M+HCOO]- 265.101621 164.0
[M+CH3COO]- 279.117271 193.7
[M+Na-2H]- 241.078086 150.2
[M]+ 220.10287142 144.2
[M]- 220.10396858 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.