CID 52931113

Cer(d18:0/13:0)

Structural Information

Molecular Formula
C31H63NO3
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCC)O
InChI
InChI=1S/C31H63NO3/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-30(34)29(28-33)32-31(35)27-25-23-21-19-14-12-10-8-6-4-2/h29-30,33-34H,3-28H2,1-2H3,(H,32,35)/t29-,30+/m0/s1
InChIKey
BORMXTJNNOUFST-XZWHSSHBSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tridecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

497.4808 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.48808 245.5
[M+Na]+ 520.47002 251.2
[M-H]- 496.47352 232.9
[M+NH4]+ 515.51462 242.4
[M+K]+ 536.44396 250.4
[M+H-H2O]+ 480.47806 243.4
[M+HCOO]- 542.47900 244.3
[M+CH3COO]- 556.49465 247.6
[M+Na-2H]- 518.45547 229.7
[M]+ 497.48025 241.4
[M]- 497.48135 241.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe