CID 469431

Chembl147886

Structural Information

Molecular Formula
C20H24N6O2
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN3CCC4=CC(=C(C=C4C3)OC)OC)N)N
InChI
InChI=1S/C20H24N6O2/c1-11-14(8-23-19-17(11)18(21)24-20(22)25-19)10-26-5-4-12-6-15(27-2)16(28-3)7-13(12)9-26/h6-8H,4-5,9-10H2,1-3H3,(H4,21,22,23,24,25)
InChIKey
MMSIAUDANZHRRG-UHFFFAOYSA-N
Compound name
6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

380.19608 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20336 197.8
[M+Na]+ 403.18530 206.7
[M-H]- 379.18880 200.4
[M+NH4]+ 398.22990 205.5
[M+K]+ 419.15924 200.1
[M+H-H2O]+ 363.19334 185.9
[M+HCOO]- 425.19428 212.0
[M+CH3COO]- 439.20993 205.5
[M+Na-2H]- 401.17075 200.9
[M]+ 380.19553 197.8
[M]- 380.19663 197.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.