CID 70698940

Cer(d14:2(4e,6e)/16:0)

Structural Information

Molecular Formula
C30H57NO3
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/C=C/CCCCCCC)O
InChI
InChI=1S/C30H57NO3/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-30(34)31-28(27-32)29(33)25-23-21-19-17-12-10-8-6-4-2/h19,21,23,25,28-29,32-33H,3-18,20,22,24,26-27H2,1-2H3,(H,31,34)/b21-19+,25-23+/t28-,29+/m0/s1
InChIKey
SUFXADQEIOCBSI-FPLHUCQRSA-N
Compound name
N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.43384 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.44112 236.8
[M+Na]+ 502.42306 243.9
[M-H]- 478.42656 226.2
[M+NH4]+ 497.46766 234.4
[M+K]+ 518.39700 241.8
[M+H-H2O]+ 462.43110 227.5
[M+HCOO]- 524.43204 237.8
[M+CH3COO]- 538.44769 242.1
[M+Na-2H]- 500.40851 222.6
[M]+ 479.43329 232.4
[M]- 479.43439 232.4
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.