CID 5129860

3-(2-methylphenyl)-1-(4-methylphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C17H17N3
SMILES
CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3C)N
InChI
InChI=1S/C17H17N3/c1-12-7-9-14(10-8-12)20-17(18)11-16(19-20)15-6-4-3-5-13(15)2/h3-11H,18H2,1-2H3
InChIKey
IBCAQUOBKMYSHW-UHFFFAOYSA-N
Compound name
5-(2-methylphenyl)-2-(4-methylphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14224 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14952 162.0
[M+Na]+ 286.13146 171.6
[M-H]- 262.13496 169.7
[M+NH4]+ 281.17606 177.6
[M+K]+ 302.10540 165.5
[M+H-H2O]+ 246.13950 152.6
[M+HCOO]- 308.14044 185.4
[M+CH3COO]- 322.15609 174.4
[M+Na-2H]- 284.11691 164.8
[M]+ 263.14169 161.4
[M]- 263.14279 161.4
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.