CID 1869457

76536-65-7

Structural Information

Molecular Formula
C23H25N3O3
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC)C
InChI
InChI=1S/C23H25N3O3/c1-13-8-14(2)22(15(3)9-13)24-21-12-18-17-11-20(29-5)19(28-4)10-16(17)6-7-26(18)23(27)25-21/h8-12H,6-7H2,1-5H3,(H,24,25,27)
InChIKey
FJVQNSDTSROABN-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

53
Patents

391.1896 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 197.6
[M+Na]+ 414.17882 214.5
[M+NH4]+ 409.22342 205.0
[M+K]+ 430.15276 205.5
[M-H]- 390.18232 203.0
[M+Na-2H]- 412.16427 204.1
[M]+ 391.18905 201.8
[M]- 391.19015 201.8
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