CID 135465505

Schembl6451425

Structural Information

Molecular Formula
C20H15ClN2O
SMILES
CC1=NN(C(=C1)C2=C(C3=CC=CC=C3C=C2)O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H15ClN2O/c1-13-12-19(23(22-13)16-9-7-15(21)8-10-16)18-11-6-14-4-2-3-5-17(14)20(18)24/h2-12,24H,1H3
InChIKey
JDLSQLNFOVKATC-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.08728 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09456 178.4
[M+Na]+ 357.07650 190.9
[M-H]- 333.08000 186.3
[M+NH4]+ 352.12110 192.8
[M+K]+ 373.05044 182.1
[M+H-H2O]+ 317.08454 169.1
[M+HCOO]- 379.08548 195.2
[M+CH3COO]- 393.10113 190.2
[M+Na-2H]- 355.06195 181.8
[M]+ 334.08673 182.6
[M]- 334.08783 182.6
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