CID 97546

Brn 4523822

Structural Information

Molecular Formula
C15H17FN4
SMILES
C1CN(CCN1C2=C(C=NC=C2)N)C3=CC=CC=C3F
InChI
InChI=1S/C15H17FN4/c16-12-3-1-2-4-14(12)19-7-9-20(10-8-19)15-5-6-18-11-13(15)17/h1-6,11H,7-10,17H2
InChIKey
USUIHMYULNQRMI-UHFFFAOYSA-N
Compound name
4-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.14374 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.151016 164.6
[M+Na]+ 295.132958 171.1
[M-H]- 271.136464 167.9
[M+NH4]+ 290.177563 175.7
[M+K]+ 311.106898 164.9
[M+H-H2O]+ 255.141000 152.5
[M+HCOO]- 317.141941 180.8
[M+CH3COO]- 331.157591 173.9
[M+Na-2H]- 293.118406 168.3
[M]+ 272.14319142 157.1
[M]- 272.14428858 157.1
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.