CID 2517666

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

Structural Information

Molecular Formula
C19H21N3
SMILES
CCCCC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3/c1-2-3-7-15-10-12-16(13-11-15)18-14-19(20)22(21-18)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7,20H2,1H3
InChIKey
AIFFAHUZAKKYNO-UHFFFAOYSA-N
Compound name
3-(4-butylphenyl)-1-phenylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.17355 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.180826 170.5
[M+Na]+ 314.162768 178.2
[M-H]- 290.166274 177.4
[M+NH4]+ 309.207373 184.5
[M+K]+ 330.136708 171.7
[M+H-H2O]+ 274.170810 160.4
[M+HCOO]- 336.171751 193.1
[M+CH3COO]- 350.187401 181.6
[M+Na-2H]- 312.148216 173.0
[M]+ 291.17300142 170.1
[M]- 291.17409858 170.1
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.