CID 684746

1-benzyl-3-phenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C16H15N3
SMILES
C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=CC=C3)N
InChI
InChI=1S/C16H15N3/c17-16-11-15(14-9-5-2-6-10-14)18-19(16)12-13-7-3-1-4-8-13/h1-11H,12,17H2
InChIKey
XMEAHPOVYFOANY-UHFFFAOYSA-N
Compound name
1-benzyl-3-phenylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

41
Patents

249.1266 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13388 156.4
[M+Na]+ 272.11582 164.6
[M-H]- 248.11932 163.5
[M+NH4]+ 267.16042 171.9
[M+K]+ 288.08976 158.7
[M+H-H2O]+ 232.12386 146.7
[M+HCOO]- 294.12480 180.1
[M+CH3COO]- 308.14045 168.5
[M+Na-2H]- 270.10127 161.3
[M]+ 249.12605 154.6
[M]- 249.12715 154.6
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.