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

6
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 152.6
[M+Na]+ 263.08247 157.0
[M-H]- 239.08597 154.2
[M+NH4]+ 258.12707 169.1
[M+K]+ 279.05641 153.2
[M+H-H2O]+ 223.09051 145.5
[M+HCOO]- 285.09145 171.2
[M+CH3COO]- 299.10710 191.1
[M+Na-2H]- 261.06792 155.9
[M]+ 240.09270 153.2
[M]- 240.09380 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