CID 719865

429653-28-1

Structural Information

Molecular Formula
C17H12N2O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)C3=NNC(=C3)C4=CC=CO4
InChI
InChI=1S/C17H12N2O2/c20-17-12-5-2-1-4-11(12)7-8-13(17)14-10-15(19-18-14)16-6-3-9-21-16/h1-10,20H,(H,18,19)
InChIKey
AUFKOSNMJAYSCA-UHFFFAOYSA-N
Compound name
2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

276.08987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09715 159.4
[M+Na]+ 299.07909 170.2
[M-H]- 275.08259 167.3
[M+NH4]+ 294.12369 174.7
[M+K]+ 315.05303 164.8
[M+H-H2O]+ 259.08713 151.8
[M+HCOO]- 321.08807 180.8
[M+CH3COO]- 335.10372 172.1
[M+Na-2H]- 297.06454 163.9
[M]+ 276.08932 161.0
[M]- 276.09042 161.0
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