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]+ 239.12126 154.7
[M+Na]+ 261.10320 164.0
[M+NH4]+ 256.14780 162.5
[M+K]+ 277.07714 155.8
[M-H]- 237.10670 157.4
[M+Na-2H]- 259.08865 159.6
[M]+ 238.11343 157.0
[M]- 238.11453 157.0
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.