CID 3502860

1-dodecyl-3-(p-tolyl)urea

Structural Information

Molecular Formula
C20H34N2O
SMILES
CCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)C
InChI
InChI=1S/C20H34N2O/c1-3-4-5-6-7-8-9-10-11-12-17-21-20(23)22-19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3,(H2,21,22,23)
InChIKey
UWKLNEYVPVAWKD-UHFFFAOYSA-N
Compound name
1-dodecyl-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

318.26712 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.27440 184.5
[M+Na]+ 341.25634 186.5
[M-H]- 317.25984 186.3
[M+NH4]+ 336.30094 198.5
[M+K]+ 357.23028 182.2
[M+H-H2O]+ 301.26438 176.1
[M+HCOO]- 363.26532 206.8
[M+CH3COO]- 377.28097 216.1
[M+Na-2H]- 339.24179 185.4
[M]+ 318.26657 187.2
[M]- 318.26767 187.2
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