CID 163116447

(2r)-2-hydroxy-n-[(2s,3s,4r)-1,3,4-trihydroxy-16-methylheptadecan-2-yl]tricosanamide

Structural Information

Molecular Formula
C41H83NO5
SMILES
CCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCC(C)C)O)O)O
InChI
InChI=1S/C41H83NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-39(45)41(47)42-37(35-43)40(46)38(44)33-30-27-24-22-19-20-23-26-29-32-36(2)3/h36-40,43-46H,4-35H2,1-3H3,(H,42,47)/t37-,38+,39+,40-/m0/s1
InChIKey
ZYSVFETZRJPUSN-KQQMQGIYSA-N
Compound name
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-16-methylheptadecan-2-yl]tricosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

669.62714 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.63442 276.7
[M+Na]+ 692.61636 279.1
[M-H]- 668.61986 265.2
[M+NH4]+ 687.66096 275.0
[M+K]+ 708.59030 284.0
[M+H-H2O]+ 652.62440 273.2
[M+HCOO]- 714.62534 261.2
[M+CH3COO]- 728.64099 276.4
[M+Na-2H]- 690.60181 256.8
[M]+ 669.62659 270.4
[M]- 669.62769 270.4
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.