CID 3059450

4h-pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate

Structural Information

Molecular Formula
C24H27N3O3
SMILES
CC1=CC(=C(C(=C1)C)N(C)C2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC)C
InChI
InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)26(4)22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)25-22/h9-13H,7-8H2,1-6H3
InChIKey
KLRZTPNHBOIVSB-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

405.20523 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 200.9
[M+Na]+ 428.19445 217.8
[M+NH4]+ 423.23905 208.4
[M+K]+ 444.16839 209.1
[M-H]- 404.19795 206.6
[M+Na-2H]- 426.17990 207.5
[M]+ 405.20468 205.2
[M]- 405.20578 205.2
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

patents stripe