CID 135461963

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

Structural Information

Molecular Formula
C16H13F2N3O2
SMILES
CC1=[N+](C2=CC(=C(C=C2[N+](=C1NCC3=CC=CC=C3)[O-])F)F)[O-]
InChI
InChI=1S/C16H13F2N3O2/c1-10-16(19-9-11-5-3-2-4-6-11)21(23)15-8-13(18)12(17)7-14(15)20(10)22/h2-8,19H,9H2,1H3
InChIKey
WTLQLTGQDQJQQP-UHFFFAOYSA-N
Compound name
N-benzyl-6,7-difluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.0976 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10488 171.9
[M+Na]+ 340.08682 180.6
[M-H]- 316.09032 172.5
[M+NH4]+ 335.13142 182.3
[M+K]+ 356.06076 164.6
[M+H-H2O]+ 300.09486 169.9
[M+HCOO]- 362.09580 188.9
[M+CH3COO]- 376.11145 194.2
[M+Na-2H]- 338.07227 179.9
[M]+ 317.09705 166.0
[M]- 317.09815 166.0
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

No patent data available for this compound.