CID 11514685

890302-17-7

Structural Information

Molecular Formula

C₁₃H₁₃F₃N₄

SMILES

C1CN(CCN1)C2=NC=CC3=C2C=CC(=N3)C(F)(F)F

InChI

InChI=1S/C13H13F3N4/c14-13(15,16)11-2-1-9-10(19-11)3-4-18-12(9)20-7-5-17-6-8-20/h1-4,17H,5-8H2

InChIKey

MIBMFJKAPFQBRL-UHFFFAOYSA-N

Compound name

5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 282.10922 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.116496	165.7
[M+Na]+	305.098438	173.3
[M-H]-	281.101944	161.8
[M+NH4]+	300.143043	175.9
[M+K]+	321.072378	166.3
[M+H-H2O]+	265.106480	152.8
[M+HCOO]-	327.107421	173.9
[M+CH3COO]-	341.123071	173.4
[M+Na-2H]-	303.083886	171.1
[M]+	282.10867142	156.0
[M]-	282.10976858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe