CID 73242208

C20dh 1-deoxycer

Structural Information

Molecular Formula
C38H77NO2
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)[C@@H](CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C38H77NO2/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-38(41)39-36(3)37(40)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2/h36-37,40H,4-35H2,1-3H3,(H,39,41)/t36-,37+/m0/s1
InChIKey
DAGLNHFUFDIHKX-PQQNNWGCSA-N
Compound name
N-[(2S,3R)-3-hydroxyoctadecan-2-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

579.59546 Da
Monoisotopic Mass

16.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.60274 268.4
[M+Na]+ 602.58468 274.4
[M-H]- 578.58818 252.9
[M+NH4]+ 597.62928 266.6
[M+K]+ 618.55862 276.5
[M+H-H2O]+ 562.59272 266.5
[M+HCOO]- 624.59366 266.2
[M+CH3COO]- 638.60931 267.9
[M+Na-2H]- 600.57013 250.7
[M]+ 579.59491 265.2
[M]- 579.59601 265.2
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