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 170.5
[M+Na]+ 314.16277 178.2
[M-H]- 290.16627 177.4
[M+NH4]+ 309.20737 184.5
[M+K]+ 330.13671 171.7
[M+H-H2O]+ 274.17081 160.4
[M+HCOO]- 336.17175 193.1
[M+CH3COO]- 350.18740 181.6
[M+Na-2H]- 312.14822 173.0
[M]+ 291.17300 170.0
[M]- 291.17410 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.