CID 135465514

Schembl6448336

Structural Information

Molecular Formula
C19H15N3O
SMILES
CC1=CC(=NN1C2=CC=CC=N2)C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C19H15N3O/c1-13-12-16(21-22(13)18-8-4-5-11-20-18)19-15-7-3-2-6-14(15)9-10-17(19)23/h2-12,23H,1H3
InChIKey
YYNBEQGKLNMEJH-UHFFFAOYSA-N
Compound name
1-(5-methyl-1-pyridin-2-ylpyrazol-3-yl)naphthalen-2-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]+ 302.128796 171.1
[M+Na]+ 324.110738 182.4
[M-H]- 300.114244 177.8
[M+NH4]+ 319.155343 184.2
[M+K]+ 340.084678 174.8
[M+H-H2O]+ 284.118780 160.7
[M+HCOO]- 346.119721 191.5
[M+CH3COO]- 360.135371 182.7
[M+Na-2H]- 322.096186 176.4
[M]+ 301.12097142 172.8
[M]- 301.12206858 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