CID 6604822

Am 404

Structural Information

Molecular Formula
C26H37NO2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1=CC=C(C=C1)O
InChI
InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,20-23,28H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
InChIKey
IJBZOOZRAXHERC-DOFZRALJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

209
References

199
Patents

395.28244 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.28972 205.7
[M+Na]+ 418.27166 206.9
[M-H]- 394.27516 205.2
[M+NH4]+ 413.31626 215.9
[M+K]+ 434.24560 198.4
[M+H-H2O]+ 378.27970 197.0
[M+HCOO]- 440.28064 224.5
[M+CH3COO]- 454.29629 223.4
[M+Na-2H]- 416.25711 202.7
[M]+ 395.28189 207.8
[M]- 395.28299 207.8
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