CID 3065588

108445-75-6

Structural Information

Molecular Formula
C24H27N3O3
SMILES
CC1CN2C(=CC(=NC3=C(C=CC=C3C)C)N(C2=O)C)C4=CC(=C(C=C14)OC)OC
InChI
InChI=1S/C24H27N3O3/c1-14-8-7-9-15(2)23(14)25-22-12-19-18-11-21(30-6)20(29-5)10-17(18)16(3)13-27(19)24(28)26(22)4/h7-12,16H,13H2,1-6H3
InChIKey
CRHYBIDFFKUMFS-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)imino-9,10-dimethoxy-3,7-dimethyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 201.4
[M+Na]+ 428.19445 219.0
[M+NH4]+ 423.23905 208.7
[M+K]+ 444.16839 209.6
[M-H]- 404.19795 207.1
[M+Na-2H]- 426.17990 207.9
[M]+ 405.20468 205.8
[M]- 405.20578 205.8
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