CID 2249289

3-[2-(2-hydroxyethoxy)ethyl]-1-phenylthiourea

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
C1=CC=C(C=C1)NC(=S)NCCOCCO
InChI
InChI=1S/C11H16N2O2S/c14-7-9-15-8-6-12-11(16)13-10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H2,12,13,16)
InChIKey
KSKQDDAPVQIFBM-UHFFFAOYSA-N
Compound name
1-[2-(2-hydroxyethoxy)ethyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.09325 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.100526 152.6
[M+Na]+ 263.082468 157.0
[M-H]- 239.085974 154.2
[M+NH4]+ 258.127073 169.1
[M+K]+ 279.056408 153.2
[M+H-H2O]+ 223.090510 145.5
[M+HCOO]- 285.091451 171.2
[M+CH3COO]- 299.107101 191.1
[M+Na-2H]- 261.067916 155.9
[M]+ 240.09270142 153.2
[M]- 240.09379858 153.2
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