CID 70698975

Cer(d16:2(4e,6e)/18:1(9z)(2oh))

Structural Information

Molecular Formula
C34H63NO4
SMILES
CCCCCCCCC/C=C/C=C/[C@H]([C@H](CO)NC(=O)C(CCCCCC/C=C\CCCCCCCC)O)O
InChI
InChI=1S/C34H63NO4/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-33(38)34(39)35-31(30-36)32(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h16-17,22,24,26,28,31-33,36-38H,3-15,18-21,23,25,27,29-30H2,1-2H3,(H,35,39)/b17-16-,24-22+,28-26+/t31-,32+,33?/m0/s1
InChIKey
BKBFJMDDLDZGGL-MUNZBCBCSA-N
Compound name
(Z)-N-[(2S,3R,4E,6E)-1,3-dihydroxyhexadeca-4,6-dien-2-yl]-2-hydroxyoctadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.4757 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.48298 247.6
[M+Na]+ 572.46492 253.6
[M-H]- 548.46842 238.1
[M+NH4]+ 567.50952 245.4
[M+K]+ 588.43886 253.2
[M+H-H2O]+ 532.47296 244.9
[M+HCOO]- 594.47390 243.9
[M+CH3COO]- 608.48955 252.5
[M+Na-2H]- 570.45037 231.8
[M]+ 549.47515 241.5
[M]- 549.47625 241.5
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.