CID 3466668

N-phenyl-n'-undecylurea

Structural Information

Molecular Formula
C18H30N2O
SMILES
CCCCCCCCCCCNC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-13-16-19-18(21)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3,(H2,19,20,21)
InChIKey
COHVMSAPOXLHSM-UHFFFAOYSA-N
Compound name
1-phenyl-3-undecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2358 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24308 175.5
[M+Na]+ 313.22502 177.3
[M-H]- 289.22852 177.2
[M+NH4]+ 308.26962 190.3
[M+K]+ 329.19896 173.5
[M+H-H2O]+ 273.23306 167.2
[M+HCOO]- 335.23400 198.5
[M+CH3COO]- 349.24965 209.0
[M+Na-2H]- 311.21047 178.1
[M]+ 290.23525 177.0
[M]- 290.23635 177.0
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

No patent data available for this compound.