CID 73743890

Dtxsid90887862

Structural Information

Molecular Formula
C22H21NO2
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)C=C4COC5=CC=CC=C5C4=O
InChI
InChI=1S/C22H21NO2/c24-22-18(14-25-20-8-2-1-7-19(20)22)13-15-11-16-5-3-9-23-10-4-6-17(12-15)21(16)23/h1-2,7-8,11-13H,3-6,9-10,14H2
InChIKey
GAFRCZFIUKXUFQ-UHFFFAOYSA-N
Compound name
3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.15723 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16451 177.3
[M+Na]+ 354.14645 182.2
[M-H]- 330.14995 183.2
[M+NH4]+ 349.19105 190.7
[M+K]+ 370.12039 176.5
[M+H-H2O]+ 314.15449 166.3
[M+HCOO]- 376.15543 187.6
[M+CH3COO]- 390.17108 185.8
[M+Na-2H]- 352.13190 181.6
[M]+ 331.15668 171.8
[M]- 331.15778 171.8
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.