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 179.6
[M+Na]+ 354.14645 195.1
[M+NH4]+ 349.19105 189.8
[M+K]+ 370.12039 185.1
[M-H]- 330.14995 186.6
[M+Na-2H]- 352.13190 184.4
[M]+ 331.15668 184.0
[M]- 331.15778 184.0
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.