CID 57495073

130016-98-7

Structural Information

Molecular Formula
C20H18N2O5S
SMILES
CCCCS(=O)(=O)NC1=CC=C(C=C1)C\2=C(C(=O)O/C2=C\C3=CC=CO3)C#N
InChI
InChI=1S/C20H18N2O5S/c1-2-3-11-28(24,25)22-15-8-6-14(7-9-15)19-17(13-21)20(23)27-18(19)12-16-5-4-10-26-16/h4-10,12,22H,2-3,11H2,1H3/b18-12-
InChIKey
DESLCFKWTJEBGT-PDGQHHTCSA-N
Compound name
N-[4-[(2Z)-4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

398.09363 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.10091 189.8
[M+Na]+ 421.08285 199.4
[M+NH4]+ 416.12745 191.6
[M+K]+ 437.05679 192.9
[M-H]- 397.08635 187.4
[M+Na-2H]- 419.06830 191.3
[M]+ 398.09308 189.9
[M]- 398.09418 189.9
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

patents stripe