CID 5925293

Nsc640354

Structural Information

Molecular Formula
C17H15N3O6S
SMILES
C1OC2=C(O1)C=C(C=C2)C3/C(=N\NS(=O)(=O)C4=CC=CC=C4)/C(=C(O3)N)O
InChI
InChI=1S/C17H15N3O6S/c18-17-15(21)14(19-20-27(22,23)11-4-2-1-3-5-11)16(26-17)10-6-7-12-13(8-10)25-9-24-12/h1-8,16,20-21H,9,18H2/b19-14-
InChIKey
XANQUOMWIBGPKR-RGEXLXHISA-N
Compound name
N-[(E)-[5-amino-2-(1,3-benzodioxol-5-yl)-4-hydroxyfuran-3-ylidene]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.06815 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.07543 185.1
[M+Na]+ 412.05737 192.8
[M-H]- 388.06087 198.3
[M+NH4]+ 407.10197 196.3
[M+K]+ 428.03131 192.4
[M+H-H2O]+ 372.06541 180.0
[M+HCOO]- 434.06635 203.4
[M+CH3COO]- 448.08200 196.4
[M+Na-2H]- 410.04282 190.0
[M]+ 389.06760 189.3
[M]- 389.06870 189.3
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.