CID 976921

3-(6-methoxynaphthalen-2-yl)-1-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C21H16N2O2
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C3=NN(C=C3C=O)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O2/c1-25-20-10-9-15-11-17(8-7-16(15)12-20)21-18(14-24)13-23(22-21)19-5-3-2-4-6-19/h2-14H,1H3
InChIKey
XXLBQGOQLUOIBS-UHFFFAOYSA-N
Compound name
3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1212 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 178.0
[M+Na]+ 351.11042 196.4
[M+NH4]+ 346.15502 186.6
[M+K]+ 367.08436 188.3
[M-H]- 327.11392 184.5
[M+Na-2H]- 349.09587 189.3
[M]+ 328.12065 182.8
[M]- 328.12175 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.