CID 316314

54219-90-8

Structural Information

Molecular Formula
C26H35NO5
SMILES
CCOCCN(CC1=C(C(=CC(=C1)CC=C)OC)O)CC2=C(C(=CC(=C2)CC=C)OC)O
InChI
InChI=1S/C26H35NO5/c1-6-9-19-13-21(25(28)23(15-19)30-4)17-27(11-12-32-8-3)18-22-14-20(10-7-2)16-24(31-5)26(22)29/h6-7,13-16,28-29H,1-2,8-12,17-18H2,3-5H3
InChIKey
SZHWXZABTVWQGL-UHFFFAOYSA-N
Compound name
2-[[2-ethoxyethyl-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]amino]methyl]-6-methoxy-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.25153 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.25881 210.6
[M+Na]+ 464.24075 215.6
[M-H]- 440.24425 215.4
[M+NH4]+ 459.28535 219.4
[M+K]+ 480.21469 211.2
[M+H-H2O]+ 424.24879 201.0
[M+HCOO]- 486.24973 230.5
[M+CH3COO]- 500.26538 237.3
[M+Na-2H]- 462.22620 207.0
[M]+ 441.25098 218.7
[M]- 441.25208 218.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.