CID 390272

Nsc687564

Structural Information

Molecular Formula
C19H11N5O6S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)O
InChI
InChI=1S/C19H11N5O6S/c20-10-15-17(12-6-8-13(9-7-12)24(27)28)16(11-21)19(26)23(18(15)25)22-31(29,30)14-4-2-1-3-5-14/h1-9,22,25H
InChIKey
QLTDCWRKCNVDTI-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-2-hydroxy-4-(4-nitrophenyl)-6-oxopyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.05028 221.4
[M+Na]+ 460.03222 229.5
[M-H]- 436.03572 225.2
[M+NH4]+ 455.07682 224.4
[M+K]+ 476.00616 221.5
[M+H-H2O]+ 420.04026 206.0
[M+HCOO]- 482.04120 227.9
[M+CH3COO]- 496.05685 238.3
[M+Na-2H]- 458.01767 220.3
[M]+ 437.04245 212.3
[M]- 437.04355 212.3
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.