CID 87606311

Schembl3990776

Structural Information

Molecular Formula
C22H39NO4
SMILES
CCCCCCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C22H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)18-21(25)23-20-16-17-27-22(20)26/h20H,2-18H2,1H3,(H,23,25)/t20-/m0/s1
InChIKey
CZXPAOLZHQCXND-FQEVSTJZSA-N
Compound name
3-oxo-N-[(3S)-2-oxooxolan-3-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

381.2879 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.29518 202.9
[M+Na]+ 404.27712 202.7
[M-H]- 380.28062 204.1
[M+NH4]+ 399.32172 214.4
[M+K]+ 420.25106 200.2
[M+H-H2O]+ 364.28516 194.9
[M+HCOO]- 426.28610 220.3
[M+CH3COO]- 440.30175 223.7
[M+Na-2H]- 402.26257 198.3
[M]+ 381.28735 207.8
[M]- 381.28845 207.8
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