CID 4051140

1-cyclohexyl-3-(4-hydroxyphenyl)urea

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)O
InChI
InChI=1S/C13H18N2O2/c16-12-8-6-11(7-9-12)15-13(17)14-10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H2,14,15,17)
InChIKey
RQLAWYIMRBTCHU-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(4-hydroxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

234.13683 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 152.5
[M+Na]+ 257.126048 155.3
[M-H]- 233.129554 156.8
[M+NH4]+ 252.170653 168.4
[M+K]+ 273.099988 152.3
[M+H-H2O]+ 217.134090 145.0
[M+HCOO]- 279.135031 173.1
[M+CH3COO]- 293.150681 191.5
[M+Na-2H]- 255.111496 156.6
[M]+ 234.13628142 145.4
[M]- 234.13737858 145.4
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