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]+ 264.149516 161.8
[M+Na]+ 286.131458 171.6
[M-H]- 262.134964 166.4
[M+NH4]+ 281.176063 178.1
[M+K]+ 302.105398 165.0
[M+H-H2O]+ 246.139500 151.7
[M+HCOO]- 308.140441 179.9
[M+CH3COO]- 322.156091 173.3
[M+Na-2H]- 284.116906 167.6
[M]+ 263.14169142 161.2
[M]- 263.14278858 161.2
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.