CID 135499252

Nsc647081

Structural Information

Molecular Formula
C21H17ClN4O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\C2=NC3=C(C=C(C=C3)Cl)NC2=O)/C(C4=CC=CO4)O
InChI
InChI=1S/C21H17ClN4O5S/c1-12-4-7-14(8-5-12)32(29,30)26-25-18(20(27)17-3-2-10-31-17)19-21(28)24-16-11-13(22)6-9-15(16)23-19/h2-11,20,26-27H,1H3,(H,24,28)/b25-18+
InChIKey
AOFZSBFZBLTBOC-XIEYBQDHSA-N
Compound name
N-[(E)-[1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-(furan-2-yl)-2-hydroxyethylidene]amino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.06082 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.06810 206.3
[M+Na]+ 495.05004 215.3
[M-H]- 471.05354 215.3
[M+NH4]+ 490.09464 212.9
[M+K]+ 511.02398 209.9
[M+H-H2O]+ 455.05808 198.2
[M+HCOO]- 517.05902 217.2
[M+CH3COO]- 531.07467 215.1
[M+Na-2H]- 493.03549 210.4
[M]+ 472.06027 213.4
[M]- 472.06137 213.4
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.