CID 45138018

1215115-03-9

Structural Information

Molecular Formula
C21H22N2O4S2
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)SC(=C3)/C=C/C(=O)NO
InChI
InChI=1S/C21H22N2O4S2/c1-21(2,3)15-4-8-18(9-5-15)29(26,27)23-16-6-10-19-14(12-16)13-17(28-19)7-11-20(24)22-25/h4-13,23,25H,1-3H3,(H,22,24)/b11-7+
InChIKey
RIYPLPNXICDUCS-YRNVUSSQSA-N
Compound name
(E)-3-[5-[(4-tert-butylphenyl)sulfonylamino]-1-benzothiophen-2-yl]-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.1021 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.10938 200.7
[M+Na]+ 453.09132 209.5
[M+NH4]+ 448.13592 206.1
[M+K]+ 469.06526 202.6
[M-H]- 429.09482 202.7
[M+Na-2H]- 451.07677 205.6
[M]+ 430.10155 203.3
[M]- 430.10265 203.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.