CID 3065560

108445-44-9

Structural Information

Molecular Formula
C25H29N3O3
SMILES
CC1C(N2C(=CC(=NC2=O)NC3=C(C=C(C=C3C)C)C)C4=CC(=C(C=C14)OC)OC)C
InChI
InChI=1S/C25H29N3O3/c1-13-8-14(2)24(15(3)9-13)26-23-12-20-19-11-22(31-7)21(30-6)10-18(19)16(4)17(5)28(20)25(29)27-23/h8-12,16-17H,1-7H3,(H,26,27,29)
InChIKey
DBZMMDKEDDJRJZ-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-6,7-dimethyl-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

419.2209 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.22818 207.8
[M+Na]+ 442.21012 224.9
[M+NH4]+ 437.25472 214.8
[M+K]+ 458.18406 215.8
[M-H]- 418.21362 213.3
[M+Na-2H]- 440.19557 213.1
[M]+ 419.22035 212.0
[M]- 419.22145 212.0
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

patents stripe