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

literature stripe

Patent stripe

patents stripe