CID 4192831

1,3-dioctadecylurea

Structural Information

Molecular Formula
C37H76N2O
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C37H76N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37(40)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H2,38,39,40)
InChIKey
AOZVWUCYHOWWPH-UHFFFAOYSA-N
Compound name
1,3-dioctadecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

660
Patents

564.59576 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.60304 277.3
[M+Na]+ 587.58498 284.8
[M-H]- 563.58848 261.0
[M+NH4]+ 582.62958 272.8
[M+K]+ 603.55892 284.3
[M+H-H2O]+ 547.59302 274.0
[M+HCOO]- 609.59396 279.5
[M+CH3COO]- 623.60961 268.9
[M+Na-2H]- 585.57043 258.5
[M]+ 564.59521 272.5
[M]- 564.59631 272.5
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