CID 71587673

Vinoveil-ss

Structural Information

Molecular Formula
C40H85NO4P
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOP(=O)(O)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H84NO4P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(3,4)38-40-45-46(42,43)44-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-40H2,1-4H3/p+1
InChIKey
SSPHFSZBPWWNCM-UHFFFAOYSA-O
Compound name
2-[hydroxy(octadecoxy)phosphoryl]oxyethyl-dimethyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.62164 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.62892 282.5
[M+Na]+ 697.61086 283.7
[M+NH4]+ 692.65546 246.5
[M+K]+ 713.58480 287.1
[M-H]- 673.61436 275.0
[M+Na-2H]- 695.59631 269.4
[M]+ 674.62109 281.2
[M]- 674.62219 281.2
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.