CID 105178

Einecs 265-354-2

Structural Information

Molecular Formula
C41H83N2O5
SMILES
CCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCC)CCO
InChI
InChI=1S/C41H83N2O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40(46)42(33-37-44)32-34-43(3,35-38-45)36-39-48-41(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h44-45H,4-39H2,1-3H3/q+1
InChIKey
QLUNUGAMDOJKCV-UHFFFAOYSA-N
Compound name
2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

683.6302 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 684.63748 289.8
[M+Na]+ 706.61942 294.4
[M-H]- 682.62292 281.1
[M+NH4]+ 701.66402 292.4
[M+K]+ 722.59336 295.9
[M+H-H2O]+ 666.62746 281.8
[M+HCOO]- 728.62840 290.8
[M+CH3COO]- 742.64405 280.4
[M+Na-2H]- 704.60487 270.2
[M]+ 683.62965 285.2
[M]- 683.63075 285.2
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.