CID 135436618

(6,7-difluoro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-(4-methoxy-benzyl)-amine

Structural Information

Molecular Formula
C17H15F2N3O3
SMILES
CC1=[N+](C2=CC(=C(C=C2[N+](=C1NCC3=CC=C(C=C3)OC)[O-])F)F)[O-]
InChI
InChI=1S/C17H15F2N3O3/c1-10-17(20-9-11-3-5-12(25-2)6-4-11)22(24)16-8-14(19)13(18)7-15(16)21(10)23/h3-8,20H,9H2,1-2H3
InChIKey
NFRCDJBMKJAXOL-UHFFFAOYSA-N
Compound name
6,7-difluoro-N-[(4-methoxyphenyl)methyl]-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.10815 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.11543 180.8
[M+Na]+ 370.09737 189.6
[M-H]- 346.10087 181.6
[M+NH4]+ 365.14197 190.1
[M+K]+ 386.07131 173.9
[M+H-H2O]+ 330.10541 178.5
[M+HCOO]- 392.10635 197.5
[M+CH3COO]- 406.12200 200.2
[M+Na-2H]- 368.08282 187.8
[M]+ 347.10760 176.8
[M]- 347.10870 176.8
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

No patent data available for this compound.