CID 307293

1-cyclohexyl-3-(2-methoxyphenyl)urea

Structural Information

Molecular Formula
C14H20N2O2
SMILES
COC1=CC=CC=C1NC(=O)NC2CCCCC2
InChI
InChI=1S/C14H20N2O2/c1-18-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H2,15,16,17)
InChIKey
TWPKPXTUFRHWCS-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(2-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

248.15248 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 156.9
[M+Na]+ 271.14170 159.6
[M-H]- 247.14520 162.4
[M+NH4]+ 266.18630 173.0
[M+K]+ 287.11564 157.3
[M+H-H2O]+ 231.14974 148.9
[M+HCOO]- 293.15068 178.7
[M+CH3COO]- 307.16633 196.9
[M+Na-2H]- 269.12715 160.9
[M]+ 248.15193 152.0
[M]- 248.15303 152.0
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