CID 619798

3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1h-pyrazole

Structural Information

Molecular Formula
C16H16N2O
SMILES
COC1=CC=C(C=C1)C2=NN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O/c1-19-15-9-7-13(8-10-15)16-11-12-18(17-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey
RRUQCQQERUSQFJ-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

252.12627 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 157.4
[M+Na]+ 275.11549 165.2
[M-H]- 251.11899 164.5
[M+NH4]+ 270.16009 173.1
[M+K]+ 291.08943 160.6
[M+H-H2O]+ 235.12353 147.7
[M+HCOO]- 297.12447 179.4
[M+CH3COO]- 311.14012 169.5
[M+Na-2H]- 273.10094 161.5
[M]+ 252.12572 157.0
[M]- 252.12682 157.0
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