CID 3051186

67293-79-2

Structural Information

Molecular Formula
C21H25NO3
SMILES
COC1=C(C=C(C=C1)CCN2CC3CC(C2)OC4=CC=CC=C34)OC
InChI
InChI=1S/C21H25NO3/c1-23-20-8-7-15(11-21(20)24-2)9-10-22-13-16-12-17(14-22)25-19-6-4-3-5-18(16)19/h3-8,11,16-17H,9-10,12-14H2,1-2H3
InChIKey
QKEIKIBTZWQXLF-UHFFFAOYSA-N
Compound name
11-[2-(3,4-dimethoxyphenyl)ethyl]-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.190716 181.6
[M+Na]+ 362.172658 187.4
[M-H]- 338.176164 186.7
[M+NH4]+ 357.217263 194.8
[M+K]+ 378.146598 183.9
[M+H-H2O]+ 322.180700 171.4
[M+HCOO]- 384.181641 195.1
[M+CH3COO]- 398.197291 190.9
[M+Na-2H]- 360.158106 186.5
[M]+ 339.18289142 183.2
[M]- 339.18398858 183.2
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

No patent data available for this compound.