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]+ 266.13868 159.5
[M+Na]+ 288.12062 165.9
[M-H]- 264.12412 164.4
[M+NH4]+ 283.16522 175.8
[M+K]+ 304.09456 165.6
[M+H-H2O]+ 248.12866 152.6
[M+HCOO]- 310.12960 179.5
[M+CH3COO]- 324.14525 200.7
[M+Na-2H]- 286.10607 164.4
[M]+ 265.13085 162.6
[M]- 265.13195 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.