CID 4121554

1-(4-methoxyphenyl)-3-phenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C16H15N3O
SMILES
COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)N
InChI
InChI=1S/C16H15N3O/c1-20-14-9-7-13(8-10-14)19-16(17)11-15(18-19)12-5-3-2-4-6-12/h2-11H,17H2,1H3
InChIKey
JBFQWKFLFKHZRD-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

265.12152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 161.7
[M+Na]+ 288.11074 176.8
[M+NH4]+ 283.15534 170.0
[M+K]+ 304.08468 170.8
[M-H]- 264.11424 167.7
[M+Na-2H]- 286.09619 172.3
[M]+ 265.12097 165.6
[M]- 265.12207 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