CID 3085835

N,n-dimethylol-n'-stearylurea

Structural Information

Molecular Formula
C21H44N2O3
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)N(CO)CO
InChI
InChI=1S/C21H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21(26)23(19-24)20-25/h24-25H,2-20H2,1H3,(H,22,26)
InChIKey
BZTQFWIWLSWQEA-UHFFFAOYSA-N
Compound name
1,1-bis(hydroxymethyl)-3-octadecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.3352 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.34248 202.4
[M+Na]+ 395.32442 200.9
[M-H]- 371.32792 198.3
[M+NH4]+ 390.36902 213.2
[M+K]+ 411.29836 197.8
[M+H-H2O]+ 355.33246 193.9
[M+HCOO]- 417.33340 220.6
[M+CH3COO]- 431.34905 224.8
[M+Na-2H]- 393.30987 199.1
[M]+ 372.33465 207.8
[M]- 372.33575 207.8
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

No patent data available for this compound.