CID 99581

Brn 2788287

Structural Information

Molecular Formula
C24H31NO5
SMILES
COC1=CC(=CC(=C1O)CN(CCO)CC2=C(C(=CC(=C2)CC=C)OC)O)CC=C
InChI
InChI=1S/C24H31NO5/c1-5-7-17-11-19(23(27)21(13-17)29-3)15-25(9-10-26)16-20-12-18(8-6-2)14-22(30-4)24(20)28/h5-6,11-14,26-28H,1-2,7-10,15-16H2,3-4H3
InChIKey
HXSFOCHPARNSEZ-UHFFFAOYSA-N
Compound name
2-[[2-hydroxyethyl-[(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

413.2202 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.22748 201.9
[M+Na]+ 436.20942 207.3
[M-H]- 412.21292 205.8
[M+NH4]+ 431.25402 211.2
[M+K]+ 452.18336 202.6
[M+H-H2O]+ 396.21746 193.0
[M+HCOO]- 458.21840 221.0
[M+CH3COO]- 472.23405 229.3
[M+Na-2H]- 434.19487 198.9
[M]+ 413.21965 207.5
[M]- 413.22075 207.5
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.