CID 10364179

251908-92-6

Structural Information

Molecular Formula
C27H39NO2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-27(30)25-20-22-26(29)23-21-25/h6-7,9-10,12-13,15-16,20-23,29H,2-5,8,11,14,17-19,24H2,1H3,(H,28,30)/b7-6-,10-9-,13-12-,16-15-
InChIKey
XCWBOAHOJHPWLA-DOFZRALJSA-N
Compound name
4-hydroxy-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

32
Patents

409.29807 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.305346 210.0
[M+Na]+ 432.287288 210.7
[M-H]- 408.290794 209.2
[M+NH4]+ 427.331893 219.6
[M+K]+ 448.261228 202.0
[M+H-H2O]+ 392.295330 201.1
[M+HCOO]- 454.296271 228.4
[M+CH3COO]- 468.311921 226.4
[M+Na-2H]- 430.272736 206.5
[M]+ 409.29752142 212.4
[M]- 409.29861858 212.4
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