CID 3065616

108446-00-0

Structural Information

Molecular Formula
C25H29N3O3
SMILES
C[C@H]1CC2=C(C=CC(=C2OC)OC)C3=CC(=NC4=C(C=C(C=C4C)C)C)N(C(=O)N13)C
InChI
InChI=1S/C25H29N3O3/c1-14-10-15(2)23(16(3)11-14)26-22-13-20-18-8-9-21(30-6)24(31-7)19(18)12-17(4)28(20)25(29)27(22)5/h8-11,13,17H,12H2,1-7H3/t17-/m0/s1
InChIKey
UEAJSSFJPXHBQW-KRWDZBQOSA-N
Compound name
(6S)-8,9-dimethoxy-3,6-dimethyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

419.2209 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.22818 206.5
[M+Na]+ 442.21012 224.2
[M+NH4]+ 437.25472 213.6
[M+K]+ 458.18406 214.7
[M-H]- 418.21362 212.2
[M+Na-2H]- 440.19557 212.4
[M]+ 419.22035 210.9
[M]- 419.22145 210.9
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

No patent data available for this compound.