CID 658538

3,5-bis(4-methoxyphenyl)-1h-pyrazole

Structural Information

Molecular Formula
C17H16N2O2
SMILES
COC1=CC=C(C=C1)C2=CC(=NN2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H16N2O2/c1-20-14-7-3-12(4-8-14)16-11-17(19-18-16)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,18,19)
InChIKey
HRDCRGDKFGHPHP-UHFFFAOYSA-N
Compound name
3,5-bis(4-methoxyphenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

21
Patents

280.1212 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 164.2
[M+Na]+ 303.11042 172.9
[M-H]- 279.11392 170.6
[M+NH4]+ 298.15502 178.4
[M+K]+ 319.08436 167.7
[M+H-H2O]+ 263.11846 154.7
[M+HCOO]- 325.11940 185.9
[M+CH3COO]- 339.13505 175.9
[M+Na-2H]- 301.09587 167.7
[M]+ 280.12065 165.6
[M]- 280.12175 165.6
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

patents stripe