CID 391433

Nsc690620

Structural Information

Molecular Formula
C22H13NO3
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)NC5=CC=CC=C5C4=O
InChI
InChI=1S/C22H13NO3/c24-18-12-19(13-6-2-1-3-7-13)26-22-15(18)10-11-17-20(22)21(25)14-8-4-5-9-16(14)23-17/h1-12H,(H,23,25)
InChIKey
NVVKFEIQSDYGLR-UHFFFAOYSA-N
Compound name
2-phenyl-7H-pyrano[2,3-a]acridine-4,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.08954 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09682 177.7
[M+Na]+ 362.07876 190.0
[M-H]- 338.08226 186.2
[M+NH4]+ 357.12336 190.6
[M+K]+ 378.05270 183.3
[M+H-H2O]+ 322.08680 167.1
[M+HCOO]- 384.08774 196.3
[M+CH3COO]- 398.10339 189.3
[M+Na-2H]- 360.06421 187.5
[M]+ 339.08899 180.6
[M]- 339.09009 180.6
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.