CID 135476481

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

Structural Information

Molecular Formula
C16H13F2N3O3
SMILES
CC1=[N+](C2=CC(=C(C=C2[N+](=C1NC3=CC=C(C=C3)OC)[O-])F)F)[O-]
InChI
InChI=1S/C16H13F2N3O3/c1-9-16(19-10-3-5-11(24-2)6-4-10)21(23)15-8-13(18)12(17)7-14(15)20(9)22/h3-8,19H,1-2H3
InChIKey
MAPFMDXCUDPWNR-UHFFFAOYSA-N
Compound name
6,7-difluoro-N-(4-methoxyphenyl)-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.0925 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09978 176.0
[M+Na]+ 356.08172 185.2
[M-H]- 332.08522 177.0
[M+NH4]+ 351.12632 185.8
[M+K]+ 372.05566 169.8
[M+H-H2O]+ 316.08976 173.9
[M+HCOO]- 378.09070 193.0
[M+CH3COO]- 392.10635 197.3
[M+Na-2H]- 354.06717 183.6
[M]+ 333.09195 171.7
[M]- 333.09305 171.7
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.