CID 3053533

Brn 1388493

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC(=O)NCC1C2=CC(=C(C=C2CCO1)OC)OC
InChI
InChI=1S/C14H19NO4/c1-9(16)15-8-14-11-7-13(18-3)12(17-2)6-10(11)4-5-19-14/h6-7,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKey
DCWYAQSYDYFXEG-UHFFFAOYSA-N
Compound name
N-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.138676 159.5
[M+Na]+ 288.120618 165.9
[M-H]- 264.124124 164.4
[M+NH4]+ 283.165223 175.8
[M+K]+ 304.094558 165.6
[M+H-H2O]+ 248.128660 152.6
[M+HCOO]- 310.129601 179.5
[M+CH3COO]- 324.145251 200.7
[M+Na-2H]- 286.106066 164.4
[M]+ 265.13085142 162.6
[M]- 265.13194858 162.6
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.