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]+ 273.15102 164.6
[M+Na]+ 295.13296 171.1
[M-H]- 271.13646 167.9
[M+NH4]+ 290.17756 175.7
[M+K]+ 311.10690 164.9
[M+H-H2O]+ 255.14100 152.5
[M+HCOO]- 317.14194 180.8
[M+CH3COO]- 331.15759 173.9
[M+Na-2H]- 293.11841 168.3
[M]+ 272.14319 157.1
[M]- 272.14429 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.