CID 16228202

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

Structural Information

Molecular Formula
C17H17N3O
SMILES
CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C17H17N3O/c1-12-4-3-5-14(10-12)20-17(18)11-16(19-20)13-6-8-15(21-2)9-7-13/h3-11H,18H2,1-2H3
InChIKey
XDEKZJYGFXHXSY-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-2-(3-methylphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13718 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 166.4
[M+Na]+ 302.12640 181.7
[M+NH4]+ 297.17100 174.5
[M+K]+ 318.10034 175.6
[M-H]- 278.12990 172.5
[M+Na-2H]- 300.11185 176.5
[M]+ 279.13663 170.4
[M]- 279.13773 170.4
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.