CID 10118967

N-(hexadecanoyl)-1-deoxysphinganine

Structural Information

Molecular Formula
C34H69NO2
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](C)NC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C34H69NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(36)32(3)35-34(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32-33,36H,4-31H2,1-3H3,(H,35,37)/t32-,33+/m0/s1
InChIKey
XDORUNOFOLESEM-JHOUSYSJSA-N
Compound name
N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

523.53284 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.54012 254.9
[M+Na]+ 546.52206 261.6
[M-H]- 522.52556 240.9
[M+NH4]+ 541.56666 253.2
[M+K]+ 562.49600 262.0
[M+H-H2O]+ 506.53010 253.4
[M+HCOO]- 568.53104 254.2
[M+CH3COO]- 582.54669 256.7
[M+Na-2H]- 544.50751 238.9
[M]+ 523.53229 251.9
[M]- 523.53339 251.9
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

patents stripe