CID 3068155

Brn 5664028

Structural Information

Molecular Formula
C25H27N3O4
SMILES
CC1=CC(=C(C(=C1)C)N(C2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC)C(=O)C)C
InChI
InChI=1S/C25H27N3O4/c1-14-9-15(2)24(16(3)10-14)28(17(4)29)23-13-20-19-12-22(32-6)21(31-5)11-18(19)7-8-27(20)25(30)26-23/h9-13H,7-8H2,1-6H3
InChIKey
PVAKQAGZUGLINZ-UHFFFAOYSA-N
Compound name
N-(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

433.20016 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.20744 206.3
[M+Na]+ 456.18938 222.0
[M+NH4]+ 451.23398 212.6
[M+K]+ 472.16332 214.5
[M-H]- 432.19288 211.0
[M+Na-2H]- 454.17483 211.8
[M]+ 433.19961 210.0
[M]- 433.20071 210.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe