CID 83200

13170-68-8

Structural Information

Molecular Formula
C45H88N6O
SMILES
CCCCCCCCCCCCCCCCCC1=NCCN1CCNC(=O)NCCN2CCN=C2CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C45H88N6O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-46-35-39-50(43)41-37-48-45(52)49-38-42-51-40-36-47-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3,(H2,48,49,52)
InChIKey
BUYXMXMAYBANJX-UHFFFAOYSA-N
Compound name
1,3-bis[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

728.70197 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.70925 299.0
[M+Na]+ 751.69119 299.0
[M+NH4]+ 746.73579 289.1
[M+K]+ 767.66513 295.9
[M-H]- 727.69469 297.8
[M+Na-2H]- 749.67664 294.1
[M]+ 728.70142 297.8
[M]- 728.70252 297.8
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.