CID 70698943

Cer(d14:2(4e,6e)/20:1(11z))

Structural Information

Molecular Formula
C34H63NO3
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/C=C/CCCCCCC)O
InChI
InChI=1S/C34H63NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-12-10-8-6-4-2/h15-16,23,25,27,29,32-33,36-37H,3-14,17-22,24,26,28,30-31H2,1-2H3,(H,35,38)/b16-15-,25-23+,29-27+/t32-,33+/m0/s1
InChIKey
DWGHLOWUDPMQBC-LKUGJLQVSA-N
Compound name
(Z)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]icos-11-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.4808 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.48808 248.1
[M+Na]+ 556.47002 255.0
[M-H]- 532.47352 236.7
[M+NH4]+ 551.51462 245.8
[M+K]+ 572.44396 254.1
[M+H-H2O]+ 516.47806 245.8
[M+HCOO]- 578.47900 248.3
[M+CH3COO]- 592.49465 252.2
[M+Na-2H]- 554.45547 232.6
[M]+ 533.48025 243.1
[M]- 533.48135 243.1
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.