CID 3063045

3h-pyrazolo(3,4-c)isoquinoline, 6,7,8,9-tetrahydro-3-methyl-1-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C17H17N3
SMILES
CN1C2=NC=C3CCCCC3=C2C(=N1)C4=CC=CC=C4
InChI
InChI=1S/C17H17N3/c1-20-17-15(14-10-6-5-9-13(14)11-18-17)16(19-20)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKey
JJYDNJZGWFFSLV-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-6,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14224 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14952 161.5
[M+Na]+ 286.13146 178.4
[M+NH4]+ 281.17606 171.4
[M+K]+ 302.10540 170.7
[M-H]- 262.13496 166.4
[M+Na-2H]- 284.11691 170.3
[M]+ 263.14169 165.6
[M]- 263.14279 165.6
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.