CID 1549562

N-(2-hydroxyethyl)-n'-phenylthiourea

Structural Information

Molecular Formula
C9H12N2OS
SMILES
C1=CC=C(C=C1)NC(=S)NCCO
InChI
InChI=1S/C9H12N2OS/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,10,11,13)
InChIKey
MFCXZZJQPDIXAS-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

68
Patents

196.06703 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 140.9
[M+Na]+ 219.056248 146.4
[M-H]- 195.059754 142.9
[M+NH4]+ 214.100853 159.3
[M+K]+ 235.030188 142.5
[M+H-H2O]+ 179.064290 134.5
[M+HCOO]- 241.065231 159.9
[M+CH3COO]- 255.080881 183.0
[M+Na-2H]- 217.041696 145.0
[M]+ 196.06648142 139.4
[M]- 196.06757858 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe