CID 203848

Pseudourea, 2-(3-(2-ethoxyphenyl)propyl)-2-thio-, hydrochloride

Structural Information

Molecular Formula
C12H18N2OS
SMILES
CCOC1=CC=CC=C1CCCSC(=N)N
InChI
InChI=1S/C12H18N2OS/c1-2-15-11-8-4-3-6-10(11)7-5-9-16-12(13)14/h3-4,6,8H,2,5,7,9H2,1H3,(H3,13,14)
InChIKey
LLJCWQHOXALPPD-UHFFFAOYSA-N
Compound name
3-(2-ethoxyphenyl)propyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11398 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.121256 154.2
[M+Na]+ 261.103198 159.6
[M-H]- 237.106704 156.9
[M+NH4]+ 256.147803 171.6
[M+K]+ 277.077138 155.6
[M+H-H2O]+ 221.111240 147.1
[M+HCOO]- 283.112181 173.0
[M+CH3COO]- 297.127831 195.8
[M+Na-2H]- 259.088646 155.5
[M]+ 238.11343142 155.1
[M]- 238.11452858 155.1
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.