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]+ 244.108046 154.4
[M+Na]+ 266.089988 161.6
[M-H]- 242.093494 155.3
[M+NH4]+ 261.134593 168.8
[M+K]+ 282.063928 156.5
[M+H-H2O]+ 226.098030 145.8
[M+HCOO]- 288.098971 169.4
[M+CH3COO]- 302.114621 164.6
[M+Na-2H]- 264.075436 157.8
[M]+ 243.10022142 150.1
[M]- 243.10131858 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.