CID 135465490

Schembl6451076

Structural Information

Molecular Formula
C20H16N2O
SMILES
CC1=CC(=NN1C2=CC=CC=C2)C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C20H16N2O/c1-14-13-18(21-22(14)16-8-3-2-4-9-16)20-17-10-6-5-7-15(17)11-12-19(20)23/h2-13,23H,1H3
InChIKey
SOHMNBKKCXLXKT-UHFFFAOYSA-N
Compound name
1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

300.12625 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13353 170.8
[M+Na]+ 323.11547 181.6
[M-H]- 299.11897 178.7
[M+NH4]+ 318.16007 185.4
[M+K]+ 339.08941 174.2
[M+H-H2O]+ 283.12351 161.1
[M+HCOO]- 345.12445 192.3
[M+CH3COO]- 359.14010 182.7
[M+Na-2H]- 321.10092 175.6
[M]+ 300.12570 172.3
[M]- 300.12680 172.3
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