CID 135483916

Nsc621740

Structural Information

Molecular Formula
C16H15N3O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=[N+](C3=C(C=CC(=C3)OC)[N+](=C2N)[O-])[O-]
InChI
InChI=1S/C16H15N3O5S/c1-10-3-6-12(7-4-10)25(22,23)16-15(17)18(20)13-8-5-11(24-2)9-14(13)19(16)21/h3-9H,17H2,1-2H3
InChIKey
QVWHZSLTYIXYMZ-UHFFFAOYSA-N
Compound name
6-methoxy-3-(4-methylphenyl)sulfonyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.07324 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.08052 182.9
[M+Na]+ 384.06246 190.6
[M-H]- 360.06596 185.9
[M+NH4]+ 379.10706 191.2
[M+K]+ 400.03640 175.3
[M+H-H2O]+ 344.07050 182.9
[M+HCOO]- 406.07144 195.5
[M+CH3COO]- 420.08709 196.2
[M+Na-2H]- 382.04791 191.4
[M]+ 361.07269 180.7
[M]- 361.07379 180.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.