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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe