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]+ 406.212506 203.8
[M+Na]+ 428.194448 214.3
[M-H]- 404.197954 210.4
[M+NH4]+ 423.239053 214.5
[M+K]+ 444.168388 208.5
[M+H-H2O]+ 388.202490 192.6
[M+HCOO]- 450.203431 221.0
[M+CH3COO]- 464.219081 234.6
[M+Na-2H]- 426.179896 205.4
[M]+ 405.20468142 209.3
[M]- 405.20577858 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