CID 162422429

N-dodecanoyl-3-oxosphinganine

Structural Information

Molecular Formula
C30H59NO3
SMILES
CCCCCCCCCCCCCCCC(=O)[C@H](CO)NC(=O)CCCCCCCCCCC
InChI
InChI=1S/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h28,32H,3-27H2,1-2H3,(H,31,34)/t28-/m0/s1
InChIKey
CPHUADCSSNYTPL-NDEPHWFRSA-N
Compound name
N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.4495 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.45678 239.7
[M+Na]+ 504.43872 247.1
[M-H]- 480.44222 228.6
[M+NH4]+ 499.48332 239.2
[M+K]+ 520.41266 245.5
[M+H-H2O]+ 464.44676 239.0
[M+HCOO]- 526.44770 241.4
[M+CH3COO]- 540.46335 246.5
[M+Na-2H]- 502.42417 225.7
[M]+ 481.44895 236.9
[M]- 481.45005 236.9
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

No patent data available for this compound.