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]+ 291.243076 175.5
[M+Na]+ 313.225018 177.3
[M-H]- 289.228524 177.2
[M+NH4]+ 308.269623 190.3
[M+K]+ 329.198958 173.5
[M+H-H2O]+ 273.233060 167.2
[M+HCOO]- 335.234001 198.5
[M+CH3COO]- 349.249651 209.0
[M+Na-2H]- 311.210466 178.1
[M]+ 290.23525142 177.0
[M]- 290.23634858 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.