CID 5272699

2-(3,4-dimethoxyphenyl)indolizine

Structural Information

Molecular Formula
C16H15NO2
SMILES
COC1=C(C=C(C=C1)C2=CN3C=CC=CC3=C2)OC
InChI
InChI=1S/C16H15NO2/c1-18-15-7-6-12(10-16(15)19-2)13-9-14-5-3-4-8-17(14)11-13/h3-11H,1-2H3
InChIKey
ADQUFQRYOZQWCM-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

253.11028 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 155.9
[M+Na]+ 276.09950 166.7
[M-H]- 252.10300 163.3
[M+NH4]+ 271.14410 174.9
[M+K]+ 292.07344 162.5
[M+H-H2O]+ 236.10754 148.1
[M+HCOO]- 298.10848 180.8
[M+CH3COO]- 312.12413 169.8
[M+Na-2H]- 274.08495 162.0
[M]+ 253.10973 161.2
[M]- 253.11083 161.2
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.