CID 16671967

3-(3-chlorophenyl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine dihydrochloride

Structural Information

Molecular Formula
C12H12ClN3
SMILES
C1CNCC2=C1NN=C2C3=CC(=CC=C3)Cl
InChI
InChI=1S/C12H12ClN3/c13-9-3-1-2-8(6-9)12-10-7-14-5-4-11(10)15-16-12/h1-3,6,14H,4-5,7H2,(H,15,16)
InChIKey
ILEYNNQWXGFZLC-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

233.07198 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07926 150.7
[M+Na]+ 256.06120 165.0
[M+NH4]+ 251.10580 159.6
[M+K]+ 272.03514 158.7
[M-H]- 232.06470 153.2
[M+Na-2H]- 254.04665 157.6
[M]+ 233.07143 153.6
[M]- 233.07253 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe