CID 135417301

Acetamide, n-(6,7-dichloro-3-cyano-1,4-dioxido-2-quinoxalinyl)-

Structural Information

Molecular Formula
C11H6Cl2N4O3
SMILES
CC(=O)NC1=[N+](C2=CC(=C(C=C2[N+](=C1C#N)[O-])Cl)Cl)[O-]
InChI
InChI=1S/C11H6Cl2N4O3/c1-5(18)15-11-10(4-14)16(19)8-2-6(12)7(13)3-9(8)17(11)20/h2-3H,1H3,(H,15,18)
InChIKey
KMNLJWPOOXUCAW-UHFFFAOYSA-N
Compound name
N-(6,7-dichloro-3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.9817 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.98898 174.1
[M+Na]+ 334.97092 184.6
[M-H]- 310.97442 172.0
[M+NH4]+ 330.01552 184.3
[M+K]+ 350.94486 170.4
[M+H-H2O]+ 294.97896 170.4
[M+HCOO]- 356.97990 180.7
[M+CH3COO]- 370.99555 199.5
[M+Na-2H]- 332.95637 179.0
[M]+ 311.98115 168.3
[M]- 311.98225 168.3
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.