CID 5838810

Nsc640355

Structural Information

Molecular Formula
C16H14ClN3O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N/N=C/2\C(OC(=C2O)N)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H14ClN3O4S/c17-11-6-4-5-10(9-11)15-13(14(21)16(18)24-15)19-20-25(22,23)12-7-2-1-3-8-12/h1-9,15,20-21H,18H2/b19-13-
InChIKey
LZQIGXLVMGDFBQ-UYRXBGFRSA-N
Compound name
N-[(E)-[5-amino-2-(3-chlorophenyl)-4-hydroxyfuran-3-ylidene]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.03937 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.04665 186.2
[M+Na]+ 402.02859 194.8
[M-H]- 378.03209 197.2
[M+NH4]+ 397.07319 198.8
[M+K]+ 418.00253 189.6
[M+H-H2O]+ 362.03663 179.3
[M+HCOO]- 424.03757 202.3
[M+CH3COO]- 438.05322 217.3
[M+Na-2H]- 400.01404 189.1
[M]+ 379.03882 189.5
[M]- 379.03992 189.5
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.