CID 3033551

N,n'-vinylenebis(stearic acid carbamic acid anhydride)

Structural Information

Molecular Formula
C40H74N2O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(=O)N/C=C/NC(=O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H74N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(43)47-39(45)41-35-36-42-40(46)48-38(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3,(H,41,45)(H,42,46)/b36-35+
InChIKey
GTQGVIPKDAACPM-ULDVOPSXSA-N
Compound name
[(E)-2-(octadecanoyloxycarbonylamino)ethenyl]carbamoyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.5547 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.56198 282.4
[M+Na]+ 701.54392 291.1
[M-H]- 677.54742 276.4
[M+NH4]+ 696.58852 288.0
[M+K]+ 717.51786 291.0
[M+H-H2O]+ 661.55196 282.0
[M+HCOO]- 723.55290 280.4
[M+CH3COO]- 737.56855 282.0
[M+Na-2H]- 699.52937 265.3
[M]+ 678.55415 277.8
[M]- 678.55525 277.8
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.