CID 75090

N-octadecylurea

Structural Information

Molecular Formula
C19H40N2O
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)N
InChI
InChI=1S/C19H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)22/h2-18H2,1H3,(H3,20,21,22)
InChIKey
GJNDMSSZEBNLPU-UHFFFAOYSA-N
Compound name
octadecylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1858
Patents

312.31406 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.32134 185.9
[M+Na]+ 335.30328 191.1
[M+NH4]+ 330.34788 190.9
[M+K]+ 351.27722 183.4
[M-H]- 311.30678 185.2
[M+Na-2H]- 333.28873 185.5
[M]+ 312.31351 185.9
[M]- 312.31461 185.9
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