CID 28887992

N-[2-(4-methoxyphenyl)ethyl]thiourea

Structural Information

Molecular Formula
C10H14N2OS
SMILES
COC1=CC=C(C=C1)CCNC(=S)N
InChI
InChI=1S/C10H14N2OS/c1-13-9-4-2-8(3-5-9)6-7-12-10(11)14/h2-5H,6-7H2,1H3,(H3,11,12,14)
InChIKey
FIBKIDVNZWJBGQ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08269 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08997 146.0
[M+Na]+ 233.07191 155.8
[M+NH4]+ 228.11651 154.1
[M+K]+ 249.04585 148.0
[M-H]- 209.07541 148.8
[M+Na-2H]- 231.05736 151.4
[M]+ 210.08214 148.4
[M]- 210.08324 148.4
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.