CID 15953860

(7r,8r)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine

Structural Information

Molecular Formula
C16H13F3N4
SMILES
C1[C@@H]([C@H](CN2C1=NC3=C2C=CN=C3)N)C4=CC(=C(C=C4F)F)F
InChI
InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/s1
InChIKey
SOSYXEPELJIJHZ-RNCFNFMXSA-N
Compound name
(11R,12R)-11-(2,4,5-trifluorophenyl)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

318.10922 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11650 171.9
[M+Na]+ 341.09844 184.3
[M-H]- 317.10194 173.3
[M+NH4]+ 336.14304 186.2
[M+K]+ 357.07238 176.0
[M+H-H2O]+ 301.10648 159.7
[M+HCOO]- 363.10742 187.6
[M+CH3COO]- 377.12307 182.3
[M+Na-2H]- 339.08389 174.0
[M]+ 318.10867 168.0
[M]- 318.10977 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe