CID 3065550

108445-39-2

Structural Information

Molecular Formula
C24H27N3O3
SMILES
CC1CN2C(=CC(=NC2=O)NC3=C(C=C(C=C3C)C)C)C4=CC(=C(C=C14)OC)OC
InChI
InChI=1S/C24H27N3O3/c1-13-7-14(2)23(15(3)8-13)25-22-11-19-18-10-21(30-6)20(29-5)9-17(18)16(4)12-27(19)24(28)26-22/h7-11,16H,12H2,1-6H3,(H,25,26,28)
InChIKey
VSBJDAWXTWUFPG-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-7-methyl-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

405.20523 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 202.7
[M+Na]+ 428.19445 219.7
[M+NH4]+ 423.23905 209.9
[M+K]+ 444.16839 210.6
[M-H]- 404.19795 208.1
[M+Na-2H]- 426.17990 208.6
[M]+ 405.20468 206.9
[M]- 405.20578 206.9
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