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 164.8
[M+Na]+ 292.14202 176.6
[M-H]- 268.14552 167.0
[M+NH4]+ 287.18662 182.0
[M+K]+ 308.11596 171.3
[M+H-H2O]+ 252.15006 156.0
[M+HCOO]- 314.15100 185.0
[M+CH3COO]- 328.16665 177.1
[M+Na-2H]- 290.12747 170.4
[M]+ 269.15225 171.3
[M]- 269.15335 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