CID 2689

109028-09-3

Structural Information

Molecular Formula
C17H17F3N4
SMILES
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4
InChI
InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
InChIKey
LXFHSCDLMBZYKY-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

107
References

364
Patents

334.14053 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14781 176.1
[M+Na]+ 357.12975 187.4
[M+NH4]+ 352.17435 181.6
[M+K]+ 373.10369 182.4
[M-H]- 333.13325 174.4
[M+Na-2H]- 355.11520 180.2
[M]+ 334.13998 177.0
[M]- 334.14108 177.0
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