CID 25113181

3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol

Structural Information

Molecular Formula
C20H19F3N4O
SMILES
CN1CCN(CC1)C2=NC3=C(C=C(C=C3N=C2)C(F)(F)F)C4=CC(=CC=C4)O
InChI
InChI=1S/C20H19F3N4O/c1-26-5-7-27(8-6-26)18-12-24-17-11-14(20(21,22)23)10-16(19(17)25-18)13-3-2-4-15(28)9-13/h2-4,9-12,28H,5-8H2,1H3
InChIKey
QNCYYRHIUFGGJX-UHFFFAOYSA-N
Compound name
3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

388.1511 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15838 197.5
[M+Na]+ 411.14032 205.7
[M-H]- 387.14382 197.2
[M+NH4]+ 406.18492 203.4
[M+K]+ 427.11426 197.0
[M+H-H2O]+ 371.14836 182.6
[M+HCOO]- 433.14930 204.4
[M+CH3COO]- 447.16495 203.6
[M+Na-2H]- 409.12577 199.2
[M]+ 388.15055 190.0
[M]- 388.15165 190.0
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