CID 6448038

9-(3,4-dimethoxybenzylidene)-1-azafluorene

Structural Information

Molecular Formula
C21H17NO2
SMILES
COC1=C(C=C(C=C1)/C=C/2\C3=CC=CC=C3C4=C2N=CC=C4)OC
InChI
InChI=1S/C21H17NO2/c1-23-19-10-9-14(13-20(19)24-2)12-18-16-7-4-3-6-15(16)17-8-5-11-22-21(17)18/h3-13H,1-2H3/b18-12+
InChIKey
CZJOHSIFSRIVIQ-LDADJPATSA-N
Compound name
(9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.12592 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13320 175.3
[M+Na]+ 338.11514 185.3
[M-H]- 314.11864 183.0
[M+NH4]+ 333.15974 192.5
[M+K]+ 354.08908 178.9
[M+H-H2O]+ 298.12318 166.5
[M+HCOO]- 360.12412 196.7
[M+CH3COO]- 374.13977 187.3
[M+Na-2H]- 336.10059 179.6
[M]+ 315.12537 178.9
[M]- 315.12647 178.9
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.