CID 47002567

[1-phenyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl]methanamine

Structural Information

Molecular Formula
C15H14N4
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)CN
InChI
InChI=1S/C15H14N4/c16-10-13-11-19(14-4-2-1-3-5-14)18-15(13)12-6-8-17-9-7-12/h1-9,11H,10,16H2
InChIKey
FAUPMHLVKJGOCE-UHFFFAOYSA-N
Compound name
(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12184 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.129116 156.4
[M+Na]+ 273.111058 164.9
[M-H]- 249.114564 162.1
[M+NH4]+ 268.155663 170.3
[M+K]+ 289.084998 159.0
[M+H-H2O]+ 233.119100 145.9
[M+HCOO]- 295.120041 179.0
[M+CH3COO]- 309.135691 168.1
[M+Na-2H]- 271.096506 161.8
[M]+ 250.12129142 154.7
[M]- 250.12238858 154.7
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.