CID 385046

Nsc675967

Structural Information

Molecular Formula
C22H14N2O2
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C5=CC=CC=C5N=C4C=C3)N
InChI
InChI=1S/C22H14N2O2/c23-21-14-8-4-5-9-16(14)24-17-11-10-15-18(25)12-19(26-22(15)20(17)21)13-6-2-1-3-7-13/h1-12H,(H2,23,24)
InChIKey
KJASZOGBCZIQRO-UHFFFAOYSA-N
Compound name
12-amino-2-phenylpyrano[2,3-a]acridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.10553 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11281 179.4
[M+Na]+ 361.09475 191.2
[M-H]- 337.09825 188.5
[M+NH4]+ 356.13935 192.5
[M+K]+ 377.06869 184.8
[M+H-H2O]+ 321.10279 168.5
[M+HCOO]- 383.10373 199.6
[M+CH3COO]- 397.11938 190.9
[M+Na-2H]- 359.08020 189.2
[M]+ 338.10498 181.8
[M]- 338.10608 181.8
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.