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[5,4-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

269.1528 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.160076 164.8
[M+Na]+ 292.142018 176.6
[M-H]- 268.145524 167.0
[M+NH4]+ 287.186623 182.0
[M+K]+ 308.115958 171.3
[M+H-H2O]+ 252.150060 156.0
[M+HCOO]- 314.151001 185.0
[M+CH3COO]- 328.166651 177.1
[M+Na-2H]- 290.127466 170.4
[M]+ 269.15225142 171.3
[M]- 269.15334858 171.3
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