CID 3053656

Brn 0459655

Structural Information

Molecular Formula
C25H24N2O4
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC(=O)NCCC4=CC(=C(C=C4)O)O
InChI
InChI=1S/C25H24N2O4/c28-23-9-6-17(12-24(23)29)10-11-26-25(30)13-19-15-27-22-8-7-20(14-21(19)22)31-16-18-4-2-1-3-5-18/h1-9,12,14-15,27-29H,10-11,13,16H2,(H,26,30)
InChIKey
FUPJGAXZCLQZOK-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1736 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.18088 198.4
[M+Na]+ 439.16282 204.2
[M-H]- 415.16632 204.3
[M+NH4]+ 434.20742 207.3
[M+K]+ 455.13676 197.1
[M+H-H2O]+ 399.17086 188.7
[M+HCOO]- 461.17180 217.2
[M+CH3COO]- 475.18745 206.5
[M+Na-2H]- 437.14827 200.1
[M]+ 416.17305 199.7
[M]- 416.17415 199.7
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.