CID 9842188

Uk-240455

Structural Information

Molecular Formula
C11H11Cl2N3O5S
SMILES
CS(=O)(=O)N(CCO)C1=C2C(=CC(=C1Cl)Cl)NC(=O)C(=O)N2
InChI
InChI=1S/C11H11Cl2N3O5S/c1-22(20,21)16(2-3-17)9-7(13)5(12)4-6-8(9)15-11(19)10(18)14-6/h4,17H,2-3H2,1H3,(H,14,18)(H,15,19)
InChIKey
BGJHUMNCODFLCH-UHFFFAOYSA-N
Compound name
N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(2-hydroxyethyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

82
Patents

366.97964 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.98692 169.6
[M+Na]+ 389.96886 180.8
[M-H]- 365.97236 169.9
[M+NH4]+ 385.01346 181.2
[M+K]+ 405.94280 174.4
[M+H-H2O]+ 349.97690 165.4
[M+HCOO]- 411.97784 173.1
[M+CH3COO]- 425.99349 207.5
[M+Na-2H]- 387.95431 173.1
[M]+ 366.97909 176.0
[M]- 366.98019 176.0
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

patents stripe