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]+ 329.128476 178.0
[M+Na]+ 351.110418 188.8
[M-H]- 327.113924 187.0
[M+NH4]+ 346.155023 191.8
[M+K]+ 367.084358 182.1
[M+H-H2O]+ 311.118460 167.5
[M+HCOO]- 373.119401 200.9
[M+CH3COO]- 387.135051 189.9
[M+Na-2H]- 349.095866 182.6
[M]+ 328.12065142 182.2
[M]- 328.12174858 182.2
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

No patent data available for this compound.