CID 21799229

Dtxsid3073050

Structural Information

Molecular Formula
C32H56NO3
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)/C=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C32H56NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-33(2,3)28-29-36-32(34)26-23-30-21-24-31(35-4)25-22-30/h21-26H,5-20,27-29H2,1-4H3/q+1/b26-23+
InChIKey
UTVLTYYQQGVAGP-WNAAXNPUSA-N
Compound name
2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyethyl-dimethyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

502.42603 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.43331 240.3
[M+Na]+ 525.41525 238.8
[M-H]- 501.41875 241.5
[M+NH4]+ 520.45985 235.2
[M+K]+ 541.38919 227.7
[M+H-H2O]+ 485.42329 232.9
[M+HCOO]- 547.42423 252.2
[M+CH3COO]- 561.43988 245.5
[M+Na-2H]- 523.40070 238.3
[M]+ 502.42548 249.7
[M]- 502.42658 249.7
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.