CID 6501606

3-phenyl-1h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine dihydrochloride

Structural Information

Molecular Formula
C12H13N3
SMILES
C1CNCC2=C1NN=C2C3=CC=CC=C3
InChI
InChI=1S/C12H13N3/c1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12/h1-5,13H,6-8H2,(H,14,15)
InChIKey
TZFHJMGEXWVRKQ-UHFFFAOYSA-N
Compound name
3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

199.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 144.0
[M+Na]+ 222.10017 151.1
[M-H]- 198.10367 144.5
[M+NH4]+ 217.14477 160.2
[M+K]+ 238.07411 145.1
[M+H-H2O]+ 182.10821 135.3
[M+HCOO]- 244.10915 159.9
[M+CH3COO]- 258.12480 154.7
[M+Na-2H]- 220.08562 149.7
[M]+ 199.11040 137.4
[M]- 199.11150 137.4
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