CID 28274885

1-phenyl-1h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C13H13N3O2
SMILES
C1CNCC2=C1N(N=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C13H13N3O2/c17-13(18)12-10-8-14-7-6-11(10)16(15-12)9-4-2-1-3-5-9/h1-5,14H,6-8H2,(H,17,18)
InChIKey
BDWJETVUUBVTAU-UHFFFAOYSA-N
Compound name
1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 154.4
[M+Na]+ 266.08999 161.6
[M-H]- 242.09349 155.3
[M+NH4]+ 261.13459 168.8
[M+K]+ 282.06393 156.5
[M+H-H2O]+ 226.09803 145.8
[M+HCOO]- 288.09897 169.4
[M+CH3COO]- 302.11462 164.6
[M+Na-2H]- 264.07544 157.8
[M]+ 243.10022 150.1
[M]- 243.10132 150.1
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.