CID 69757690

479050-96-9

Structural Information

Molecular Formula
C22H41NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20-18-19-26-22(20)25/h20H,2-19H2,1H3,(H,23,24)/t20-/m0/s1
InChIKey
HGMDJDYXARRSKB-FQEVSTJZSA-N
Compound name
N-[(3S)-2-oxooxolan-3-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

367.30865 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.31593 200.8
[M+Na]+ 390.29787 200.7
[M-H]- 366.30137 201.9
[M+NH4]+ 385.34247 213.2
[M+K]+ 406.27181 197.7
[M+H-H2O]+ 350.30591 192.7
[M+HCOO]- 412.30685 218.8
[M+CH3COO]- 426.32250 221.7
[M+Na-2H]- 388.28332 197.3
[M]+ 367.30810 205.6
[M]- 367.30920 205.6
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

patents stripe