CID 101426086

Erythrinasinate a

Structural Information

Molecular Formula
C38H66O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)OC)O
InChI
InChI=1S/C38H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(40)32-30-35-29-31-37(41-2)36(39)34-35/h29-32,34,39H,3-28,33H2,1-2H3/b32-30+
InChIKey
XEOWPOLWKNHXGL-NHQGMKOOSA-N
Compound name
octacosyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.4961 Da
Monoisotopic Mass

16.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.50338 262.4
[M+Na]+ 609.48532 250.7
[M-H]- 585.48882 228.3
[M+NH4]+ 604.52992 243.4
[M+K]+ 625.45926 250.6
[M+H-H2O]+ 569.49336 251.2
[M+HCOO]- 631.49430 256.6
[M+CH3COO]- 645.50995 262.0
[M+Na-2H]- 607.47077 252.3
[M]+ 586.49555 244.0
[M]- 586.49665 244.0
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

No patent data available for this compound.