CID 3344319

N-(2-benzo(1,3)dioxol-5-yl-ethyl)-2-(3-benzyloxy-4-methoxy-phenyl)-acetamide

Structural Information

Molecular Formula
C25H25NO5
SMILES
COC1=C(C=C(C=C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4
InChI
InChI=1S/C25H25NO5/c1-28-21-9-8-20(14-23(21)29-16-19-5-3-2-4-6-19)15-25(27)26-12-11-18-7-10-22-24(13-18)31-17-30-22/h2-10,13-14H,11-12,15-17H2,1H3,(H,26,27)
InChIKey
CYYGNLLNQYXRHS-UHFFFAOYSA-N
Compound name
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methoxy-3-phenylmethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

419.17328 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.18056 201.8
[M+Na]+ 442.16250 206.5
[M-H]- 418.16600 213.1
[M+NH4]+ 437.20710 210.9
[M+K]+ 458.13644 204.6
[M+H-H2O]+ 402.17054 192.1
[M+HCOO]- 464.17148 221.9
[M+CH3COO]- 478.18713 227.3
[M+Na-2H]- 440.14795 204.1
[M]+ 419.17273 207.2
[M]- 419.17383 207.2
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

patents stripe