CID 3068154

Brn 0866907

Structural Information

Molecular Formula
C26H31N3O3
SMILES
CC1=CC(=C(C(=C1)C)N(C2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC)C(C)C)C
InChI
InChI=1S/C26H31N3O3/c1-15(2)29(25-17(4)10-16(3)11-18(25)5)24-14-21-20-13-23(32-7)22(31-6)12-19(20)8-9-28(21)26(30)27-24/h10-15H,8-9H2,1-7H3
InChIKey
IGMDVVVLOVIMLY-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-2-(2,4,6-trimethyl-N-propan-2-ylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

433.23654 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.24382 209.0
[M+Na]+ 456.22576 225.0
[M+NH4]+ 451.27036 216.0
[M+K]+ 472.19970 216.8
[M-H]- 432.22926 214.5
[M+Na-2H]- 454.21121 214.8
[M]+ 433.23599 213.1
[M]- 433.23709 213.1
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