CID 3065550

108445-39-2

Structural Information

Molecular Formula
C24H27N3O3
SMILES
CC1CN2C(=CC(=NC2=O)NC3=C(C=C(C=C3C)C)C)C4=CC(=C(C=C14)OC)OC
InChI
InChI=1S/C24H27N3O3/c1-13-7-14(2)23(15(3)8-13)25-22-11-19-18-10-21(30-6)20(29-5)9-17(18)16(4)12-27(19)24(28)26-22/h7-11,16H,12H2,1-6H3,(H,25,26,28)
InChIKey
VSBJDAWXTWUFPG-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-7-methyl-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

405.20523 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 203.8
[M+Na]+ 428.19445 214.3
[M-H]- 404.19795 210.4
[M+NH4]+ 423.23905 214.5
[M+K]+ 444.16839 208.5
[M+H-H2O]+ 388.20249 192.6
[M+HCOO]- 450.20343 221.0
[M+CH3COO]- 464.21908 234.6
[M+Na-2H]- 426.17990 205.4
[M]+ 405.20468 209.3
[M]- 405.20578 209.3
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