CID 135465495

Schembl6452624

Structural Information

Molecular Formula
C19H15N3O
SMILES
CC1=NN(C(=C1)C2=C(C3=CC=CC=C3C=C2)O)C4=CC=CC=N4
InChI
InChI=1S/C19H15N3O/c1-13-12-17(22(21-13)18-8-4-5-11-20-18)16-10-9-14-6-2-3-7-15(14)19(16)23/h2-12,23H,1H3
InChIKey
MBKCMKIUUSGCMU-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.12152 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12880 171.1
[M+Na]+ 324.11074 182.4
[M-H]- 300.11424 177.8
[M+NH4]+ 319.15534 184.2
[M+K]+ 340.08468 174.8
[M+H-H2O]+ 284.11878 160.7
[M+HCOO]- 346.11972 191.5
[M+CH3COO]- 360.13537 182.7
[M+Na-2H]- 322.09619 176.4
[M]+ 301.12097 172.8
[M]- 301.12207 172.8
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

patents stripe