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

54
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 198.5
[M+Na]+ 414.17882 208.7
[M-H]- 390.18232 205.0
[M+NH4]+ 409.22342 209.5
[M+K]+ 430.15276 202.9
[M+H-H2O]+ 374.18686 187.3
[M+HCOO]- 436.18780 216.2
[M+CH3COO]- 450.20345 208.2
[M+Na-2H]- 412.16427 201.4
[M]+ 391.18905 203.3
[M]- 391.19015 203.3
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