CID 189886

Buquiterine

Structural Information

Molecular Formula
C18H23N3O3
SMILES
CC(C)(C)NC1=NC(=O)N2CCC3=CC(=C(C=C3C2=C1)OC)OC
InChI
InChI=1S/C18H23N3O3/c1-18(2,3)20-16-10-13-12-9-15(24-5)14(23-4)8-11(12)6-7-21(13)17(22)19-16/h8-10H,6-7H2,1-5H3,(H,19,20,22)
InChIKey
HCUWPRQGBLLKAF-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

329.17395 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18123 180.5
[M+Na]+ 352.16317 189.7
[M-H]- 328.16667 183.6
[M+NH4]+ 347.20777 194.3
[M+K]+ 368.13711 185.9
[M+H-H2O]+ 312.17121 171.8
[M+HCOO]- 374.17215 197.4
[M+CH3COO]- 388.18780 215.5
[M+Na-2H]- 350.14862 187.1
[M]+ 329.17340 184.8
[M]- 329.17450 184.8
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

No patent data available for this compound.