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
5-(4-butylphenyl)-2-phenylpyrazol-3-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]+ 292.18083 172.1
[M+Na]+ 314.16277 187.1
[M+NH4]+ 309.20737 180.5
[M+K]+ 330.13671 179.7
[M-H]- 290.16627 178.5
[M+Na-2H]- 312.14822 182.3
[M]+ 291.17300 176.1
[M]- 291.17410 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.