CID 3059451

76536-69-1

Structural Information

Molecular Formula
C25H29N3O3
SMILES
CCN(C1=NC(=O)N2CCC3=CC(=C(C=C3C2=C1)OC)OC)C4=C(C=C(C=C4C)C)C
InChI
InChI=1S/C25H29N3O3/c1-7-27(24-16(3)10-15(2)11-17(24)4)23-14-20-19-13-22(31-6)21(30-5)12-18(19)8-9-28(20)25(29)26-23/h10-14H,7-9H2,1-6H3
InChIKey
SXYJSLIWXBRHJT-UHFFFAOYSA-N
Compound name
2-(N-ethyl-2,4,6-trimethylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

419.2209 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.22818 205.4
[M+Na]+ 442.21012 222.1
[M+NH4]+ 437.25472 212.7
[M+K]+ 458.18406 213.1
[M-H]- 418.21362 211.1
[M+Na-2H]- 440.19557 211.7
[M]+ 419.22035 209.6
[M]- 419.22145 209.6
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