CID 53481046

N-dodecanoylsphinganine

Structural Information

Molecular Formula
C30H61NO3
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCC)O
InChI
InChI=1S/C30H61NO3/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/h28-29,32-33H,3-27H2,1-2H3,(H,31,34)/t28-,29+/m0/s1
InChIKey
UHWYQXNZIBLESO-URLMMPGGSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

483.46515 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.47243 242.0
[M+Na]+ 506.45437 247.9
[M-H]- 482.45787 229.8
[M+NH4]+ 501.49897 238.9
[M+K]+ 522.42831 246.6
[M+H-H2O]+ 466.46241 229.9
[M+HCOO]- 528.46335 241.2
[M+CH3COO]- 542.47900 244.7
[M+Na-2H]- 504.43982 226.6
[M]+ 483.46460 238.0
[M]- 483.46570 238.0
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.