CID 3057682

3h-pyrazolo(3,4-c)isoquinoline, 5-butoxy-1,3-dimethyl-

Structural Information

Molecular Formula
C16H19N3O
SMILES
CCCCOC1=NC2=C(C(=NN2C)C)C3=CC=CC=C31
InChI
InChI=1S/C16H19N3O/c1-4-5-10-20-16-13-9-7-6-8-12(13)14-11(2)18-19(3)15(14)17-16/h6-9H,4-5,10H2,1-3H3
InChIKey
YUTZWYPOZNBRIE-UHFFFAOYSA-N
Compound name
5-butoxy-1,3-dimethylpyrazolo[3,4-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.1528 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16008 163.7
[M+Na]+ 292.14202 179.5
[M+NH4]+ 287.18662 172.1
[M+K]+ 308.11596 172.8
[M-H]- 268.14552 165.8
[M+Na-2H]- 290.12747 169.7
[M]+ 269.15225 166.7
[M]- 269.15335 166.7
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