CID 203292

Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride

Structural Information

Molecular Formula
C12H18N2S
SMILES
C1=CC=C(C=C1)CCCCCSC(=N)N
InChI
InChI=1S/C12H18N2S/c13-12(14)15-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H3,13,14)
InChIKey
FDQGDEQBPHXEDT-UHFFFAOYSA-N
Compound name
5-phenylpentyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11906 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12634 151.2
[M+Na]+ 245.10828 160.7
[M+NH4]+ 240.15288 159.6
[M+K]+ 261.08222 151.8
[M-H]- 221.11178 154.5
[M+Na-2H]- 243.09373 156.9
[M]+ 222.11851 153.7
[M]- 222.11961 153.7
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.