CID 169876

Trimethyloloctadecylurea

Structural Information

Molecular Formula
C22H46N2O4
SMILES
CCCCCCCCCCCCCCCCCCN(CO)C(=O)N(CO)CO
InChI
InChI=1S/C22H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-25)22(28)24(20-26)21-27/h25-27H,2-21H2,1H3
InChIKey
WYFIXSDBJXLLNW-UHFFFAOYSA-N
Compound name
1,1,3-tris(hydroxymethyl)-3-octadecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

402.34576 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.35304 210.1
[M+Na]+ 425.33498 207.8
[M-H]- 401.33848 205.9
[M+NH4]+ 420.37958 224.6
[M+K]+ 441.30892 205.7
[M+H-H2O]+ 385.34302 201.4
[M+HCOO]- 447.34396 227.5
[M+CH3COO]- 461.35961 230.5
[M+Na-2H]- 423.32043 205.1
[M]+ 402.34521 216.7
[M]- 402.34631 216.7
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