CID 2249289

N-[2-(2-hydroxyethoxy)ethyl]-n'-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

5
Patents

240.09325 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 153.5
[M+Na]+ 263.08247 161.9
[M+NH4]+ 258.12707 160.6
[M+K]+ 279.05641 154.3
[M-H]- 239.08597 155.3
[M+Na-2H]- 261.06792 158.3
[M]+ 240.09270 155.3
[M]- 240.09380 155.3
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