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 282.3
[M+Na]+ 697.61086 283.1
[M-H]- 673.61436 267.0
[M+NH4]+ 692.65546 281.7
[M+K]+ 713.58480 285.1
[M+H-H2O]+ 657.61890 264.9
[M+HCOO]- 719.61984 293.3
[M+CH3COO]- 733.63549 279.3
[M+Na-2H]- 695.59631 259.5
[M]+ 674.62109 278.6
[M]- 674.62219 278.6
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.