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 145.4
[M+Na]+ 233.07191 151.7
[M-H]- 209.07541 148.5
[M+NH4]+ 228.11651 164.0
[M+K]+ 249.04585 148.2
[M+H-H2O]+ 193.07995 138.7
[M+HCOO]- 255.08089 164.9
[M+CH3COO]- 269.09654 189.7
[M+Na-2H]- 231.05736 147.7
[M]+ 210.08214 145.6
[M]- 210.08324 145.6
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

patents stripe