CID 138454227

N-(3-hydroxy-octadecanoyl)-homoserine lactone

Structural Information

Molecular Formula
C22H41NO4
SMILES
CCCCCCCCCCCCCCCC(CC(=O)N[C@H]1CCOC1=O)O
InChI
InChI=1S/C22H41NO4/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/h19-20,24H,2-18H2,1H3,(H,23,25)/t19?,20-/m0/s1
InChIKey
IHJILWQXHBSFMS-ANYOKISRSA-N
Compound name
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.30356 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.31084 204.3
[M+Na]+ 406.29278 203.4
[M-H]- 382.29628 204.1
[M+NH4]+ 401.33738 215.1
[M+K]+ 422.26672 200.7
[M+H-H2O]+ 366.30082 196.4
[M+HCOO]- 428.30176 220.0
[M+CH3COO]- 442.31741 222.1
[M+Na-2H]- 404.27823 199.3
[M]+ 383.30301 208.0
[M]- 383.30411 208.0
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.