CID 16228477

1-(2,4-dimethylphenyl)-3-phenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C17H17N3
SMILES
CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)N)C
InChI
InChI=1S/C17H17N3/c1-12-8-9-16(13(2)10-12)20-17(18)11-15(19-20)14-6-4-3-5-7-14/h3-11H,18H2,1-2H3
InChIKey
WWHPUCFZLVPWMP-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-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]+ 264.149516 162.0
[M+Na]+ 286.131458 171.6
[M-H]- 262.134964 169.7
[M+NH4]+ 281.176063 177.6
[M+K]+ 302.105398 165.5
[M+H-H2O]+ 246.139500 152.6
[M+HCOO]- 308.140441 185.4
[M+CH3COO]- 322.156091 174.4
[M+Na-2H]- 284.116906 164.8
[M]+ 263.14169142 161.4
[M]- 263.14278858 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.