CID 185116

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

Structural Information

Molecular Formula
C12H15N3
SMILES
CC1=NN(C2=NC=C3CCCCC3=C12)C
InChI
InChI=1S/C12H15N3/c1-8-11-10-6-4-3-5-9(10)7-13-12(11)15(2)14-8/h7H,3-6H2,1-2H3
InChIKey
CSNVBOVDJMIYJL-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

201.1266 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.2
[M+Na]+ 224.11582 156.0
[M-H]- 200.11932 147.0
[M+NH4]+ 219.16042 164.8
[M+K]+ 240.08976 151.5
[M+H-H2O]+ 184.12386 137.0
[M+HCOO]- 246.12480 163.8
[M+CH3COO]- 260.14045 158.0
[M+Na-2H]- 222.10127 151.6
[M]+ 201.12605 145.7
[M]- 201.12715 145.7
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