CID 163107645

(2r)-2-hydroxy-n-[(2s,3s,4r)-1,3,4-trihydroxy-14-methylpentadecan-2-yl]henicosanamide

Structural Information

Molecular Formula
C37H75NO5
SMILES
CCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCC(C)C)O)O)O
InChI
InChI=1S/C37H75NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-35(41)37(43)38-33(31-39)36(42)34(40)29-26-23-21-18-19-22-25-28-32(2)3/h32-36,39-42H,4-31H2,1-3H3,(H,38,43)/t33-,34+,35+,36-/m0/s1
InChIKey
BSJHRSTZRSQQDP-NZKHRDNMSA-N
Compound name
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-14-methylpentadecan-2-yl]henicosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

613.5645 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 614.57178 264.0
[M+Na]+ 636.55372 267.0
[M-H]- 612.55722 253.9
[M+NH4]+ 631.59832 262.3
[M+K]+ 652.52766 270.3
[M+H-H2O]+ 596.56176 260.9
[M+HCOO]- 658.56270 250.0
[M+CH3COO]- 672.57835 265.6
[M+Na-2H]- 634.53917 245.6
[M]+ 613.56395 257.6
[M]- 613.56505 257.6
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.