CID 3065562

108445-45-0

Structural Information

Molecular Formula
C25H29N3O3
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=O)N3CC(C4=CC(=C(C=C4C3=C2)OC)OC)(C)C)C
InChI
InChI=1S/C25H29N3O3/c1-14-8-15(2)23(16(3)9-14)26-22-12-19-17-10-20(30-6)21(31-7)11-18(17)25(4,5)13-28(19)24(29)27-22/h8-12H,13H2,1-7H3,(H,26,27,29)
InChIKey
IHUBFBNARXNUEQ-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-7,7-dimethyl-2-(2,4,6-trimethylanilino)-6H-pyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

419.2209 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.22818 205.9
[M+Na]+ 442.21012 222.9
[M+NH4]+ 437.25472 214.4
[M+K]+ 458.18406 211.9
[M-H]- 418.21362 211.3
[M+Na-2H]- 440.19557 213.2
[M]+ 419.22035 210.3
[M]- 419.22145 210.3
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