CID 11563204

Galhueshield hcs

Structural Information

Molecular Formula
C37H67N2O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)/C=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C37H66N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-39(2,3)34-25-32-38-37(40)31-28-35-26-29-36(41-4)30-27-35/h26-31H,5-25,32-34H2,1-4H3/p+1/b31-28+
InChIKey
DFCYIKIUCHWCME-CCFHIKDMSA-O
Compound name
docosyl-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

571.52026 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.52754 260.9
[M+Na]+ 594.50948 270.5
[M-H]- 570.51298 251.0
[M+NH4]+ 589.55408 261.2
[M+K]+ 610.48342 265.6
[M+H-H2O]+ 554.51752 251.9
[M+HCOO]- 616.51846 276.0
[M+CH3COO]- 630.53411 262.9
[M+Na-2H]- 592.49493 256.6
[M]+ 571.51971 257.9
[M]- 571.52081 257.9
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.