CID 77352

1-(2-hydroxyethyl)-3-phenylurea

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1=CC=C(C=C1)NC(=O)NCCO
InChI
InChI=1S/C9H12N2O2/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,10,11,13)
InChIKey
RLFMTSNQZYKQLE-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

81
Patents

180.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.9
[M+Na]+ 203.079088 143.2
[M-H]- 179.082594 140.0
[M+NH4]+ 198.123693 156.3
[M+K]+ 219.053028 141.2
[M+H-H2O]+ 163.087130 131.4
[M+HCOO]- 225.088071 162.6
[M+CH3COO]- 239.103721 181.3
[M+Na-2H]- 201.064536 144.9
[M]+ 180.08932142 135.7
[M]- 180.09041858 135.7
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