CID 3821203

1-(4-chlorophenyl)-3-(4-methoxyphenyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN2O2/c1-22-16-8-2-12(3-9-16)17-13(11-21)10-20(19-17)15-6-4-14(18)5-7-15/h2-11H,1H3
InChIKey
IUJBSEZTTFSKNC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.06656 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.073836 170.4
[M+Na]+ 335.055778 181.5
[M-H]- 311.059284 178.3
[M+NH4]+ 330.100383 185.0
[M+K]+ 351.029718 175.0
[M+H-H2O]+ 295.063820 161.0
[M+HCOO]- 357.064761 189.0
[M+CH3COO]- 371.080411 182.7
[M+Na-2H]- 333.041226 172.9
[M]+ 312.06601142 175.4
[M]- 312.06710858 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.