CID 390290

Nsc687582

Structural Information

Molecular Formula
C20H13ClN4O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)O
InChI
InChI=1S/C20H13ClN4O4S/c1-12-2-8-15(9-3-12)30(28,29)24-25-19(26)16(10-22)18(17(11-23)20(25)27)13-4-6-14(21)7-5-13/h2-9,24,26H,1H3
InChIKey
FNXXYNFLDWNTAV-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)-3,5-dicyano-2-hydroxy-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.0346 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.04188 215.5
[M+Na]+ 463.02382 227.2
[M-H]- 439.02732 220.4
[M+NH4]+ 458.06842 220.8
[M+K]+ 478.99776 220.3
[M+H-H2O]+ 423.03186 199.0
[M+HCOO]- 485.03280 219.3
[M+CH3COO]- 499.04845 242.7
[M+Na-2H]- 461.00927 212.5
[M]+ 440.03405 210.4
[M]- 440.03515 210.4
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.