CID 392604

Nsc693144

Structural Information

Molecular Formula
C19H17NO3
SMILES
COC1=C(C=C2C(=C1)CCN3C2=CC4=CC=CC=C4C3=O)OC
InChI
InChI=1S/C19H17NO3/c1-22-17-10-13-7-8-20-16(15(13)11-18(17)23-2)9-12-5-3-4-6-14(12)19(20)21/h3-6,9-11H,7-8H2,1-2H3
InChIKey
DJFADVSFIUADMV-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 169.7
[M+Na]+ 330.11007 180.0
[M-H]- 306.11357 174.9
[M+NH4]+ 325.15467 186.5
[M+K]+ 346.08401 174.9
[M+H-H2O]+ 290.11811 160.4
[M+HCOO]- 352.11905 187.7
[M+CH3COO]- 366.13470 181.3
[M+Na-2H]- 328.09552 177.1
[M]+ 307.12030 173.4
[M]- 307.12140 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe