CID 5283450

Chebi:71467

Structural Information

Molecular Formula
C22H35NO2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h3-4,6-7,9-10,12-13,15-16,24H,2,5,8,11,14,17-21H2,1H3,(H,23,25)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey
OVKKNJPJQKTXIT-JLNKQSITSA-N
Compound name
(5Z,8Z,11Z,14Z,17Z)-N-(2-hydroxyethyl)icosa-5,8,11,14,17-pentaenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

750
Patents

345.26678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.274056 193.5
[M+Na]+ 368.255998 194.7
[M-H]- 344.259504 189.7
[M+NH4]+ 363.300603 205.9
[M+K]+ 384.229938 187.2
[M+H-H2O]+ 328.264040 186.2
[M+HCOO]- 390.264981 212.3
[M+CH3COO]- 404.280631 213.3
[M+Na-2H]- 366.241446 190.8
[M]+ 345.26623142 195.6
[M]- 345.26732858 195.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe