CID 776418

5-(naphthalen-2-yl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)O
InChI
InChI=1S/C14H10N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,15,16)(H,17,18)
InChIKey
JQMUXXNJOLCBJJ-UHFFFAOYSA-N
Compound name
3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

17
Patents

238.07423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.081506 150.7
[M+Na]+ 261.063448 160.6
[M-H]- 237.066954 154.1
[M+NH4]+ 256.108053 167.0
[M+K]+ 277.037388 154.8
[M+H-H2O]+ 221.071490 143.0
[M+HCOO]- 283.072431 171.1
[M+CH3COO]- 297.088081 163.0
[M+Na-2H]- 259.048896 156.7
[M]+ 238.07368142 150.5
[M]- 238.07477858 150.5
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