CID 336390

53014-86-1

Structural Information

Molecular Formula
C18H14N2O3
SMILES
COC1=CC=CC2=C1C(=NC3=C2C(=O)C4=C3C(=CC=C4)OC)N
InChI
InChI=1S/C18H14N2O3/c1-22-11-7-4-6-10-13(11)16-15(17(10)21)9-5-3-8-12(23-2)14(9)18(19)20-16/h3-8H,1-2H3,(H2,19,20)
InChIKey
XXKSUYCJOPFMDG-UHFFFAOYSA-N
Compound name
5-amino-4,7-dimethoxyindeno[1,2-c]isoquinolin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10043 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 169.2
[M+Na]+ 329.08965 181.0
[M-H]- 305.09315 175.2
[M+NH4]+ 324.13425 187.9
[M+K]+ 345.06359 175.8
[M+H-H2O]+ 289.09769 161.7
[M+HCOO]- 351.09863 190.4
[M+CH3COO]- 365.11428 181.8
[M+Na-2H]- 327.07510 174.4
[M]+ 306.09988 174.0
[M]- 306.10098 174.0
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.