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]+ 420.228176 208.9
[M+Na]+ 442.210118 219.8
[M-H]- 418.213624 215.7
[M+NH4]+ 437.254723 219.3
[M+K]+ 458.184058 213.9
[M+H-H2O]+ 402.218160 197.7
[M+HCOO]- 464.219101 225.7
[M+CH3COO]- 478.234751 238.9
[M+Na-2H]- 440.195566 209.2
[M]+ 419.22035142 215.2
[M]- 419.22144858 215.2
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