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]+ 340.19072 181.6
[M+Na]+ 362.17266 187.4
[M-H]- 338.17616 186.7
[M+NH4]+ 357.21726 194.8
[M+K]+ 378.14660 183.9
[M+H-H2O]+ 322.18070 171.4
[M+HCOO]- 384.18164 195.1
[M+CH3COO]- 398.19729 190.9
[M+Na-2H]- 360.15811 186.5
[M]+ 339.18289 183.2
[M]- 339.18399 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.