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]+ 251.12912 157.6
[M+Na]+ 273.11106 172.7
[M+NH4]+ 268.15566 165.7
[M+K]+ 289.08500 166.5
[M-H]- 249.11456 163.1
[M+Na-2H]- 271.09651 168.7
[M]+ 250.12129 161.3
[M]- 250.12239 161.3
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.