CID 28787674

1-(3-hydroxyphenyl)-3-propylurea

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CCCNC(=O)NC1=CC(=CC=C1)O
InChI
InChI=1S/C10H14N2O2/c1-2-6-11-10(14)12-8-4-3-5-9(13)7-8/h3-5,7,13H,2,6H2,1H3,(H2,11,12,14)
InChIKey
FSZIEBLZDZPOPX-UHFFFAOYSA-N
Compound name
1-(3-hydroxyphenyl)-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.112806 142.5
[M+Na]+ 217.094748 148.4
[M-H]- 193.098254 144.9
[M+NH4]+ 212.139353 160.8
[M+K]+ 233.068688 146.2
[M+H-H2O]+ 177.102790 136.1
[M+HCOO]- 239.103731 167.0
[M+CH3COO]- 253.119381 185.5
[M+Na-2H]- 215.080196 148.3
[M]+ 194.10498142 141.1
[M]- 194.10607858 141.1
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