CID 145944427

Schembl21621455

Structural Information

Molecular Formula
C20H35NO
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)N
InChI
InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H2,21,22)/b4-3-,7-6-,10-9-
InChIKey
BWADZBIKQNRUPR-PDBXOOCHSA-N
Compound name
(11Z,14Z,17Z)-icosa-11,14,17-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.27185 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.27913 184.6
[M+Na]+ 328.26107 186.3
[M-H]- 304.26457 182.0
[M+NH4]+ 323.30567 199.2
[M+K]+ 344.23501 180.5
[M+H-H2O]+ 288.26911 177.5
[M+HCOO]- 350.27005 204.3
[M+CH3COO]- 364.28570 210.9
[M+Na-2H]- 326.24652 182.2
[M]+ 305.27130 187.1
[M]- 305.27240 187.1
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