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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11650 165.7
[M+Na]+ 305.09844 173.3
[M-H]- 281.10194 161.8
[M+NH4]+ 300.14304 175.9
[M+K]+ 321.07238 166.3
[M+H-H2O]+ 265.10648 152.8
[M+HCOO]- 327.10742 173.9
[M+CH3COO]- 341.12307 173.4
[M+Na-2H]- 303.08389 171.1
[M]+ 282.10867 156.0
[M]- 282.10977 156.0
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

patents stripe