CID 3053542

Brn 1137082

Structural Information

Molecular Formula
C16H23NO4
SMILES
COC1=C(C=C2C(OCCC2=C1)CN3CCOCC3)OC
InChI
InChI=1S/C16H23NO4/c1-18-14-9-12-3-6-21-16(13(12)10-15(14)19-2)11-17-4-7-20-8-5-17/h9-10,16H,3-8,11H2,1-2H3
InChIKey
WPLFNEXFRSUBLJ-UHFFFAOYSA-N
Compound name
4-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

293.16272 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 168.9
[M+Na]+ 316.15194 181.6
[M+NH4]+ 311.19654 176.9
[M+K]+ 332.12588 175.3
[M-H]- 292.15544 175.2
[M+Na-2H]- 314.13739 173.0
[M]+ 293.16217 172.5
[M]- 293.16327 172.5
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

patents stripe