CID 11609955

Resminostat

Structural Information

Molecular Formula
C16H19N3O4S
SMILES
CN(C)CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)/C=C/C(=O)NO
InChI
InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+
InChIKey
FECGNJPYVFEKOD-VMPITWQZSA-N
Compound name
(E)-3-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

4810
Patents

349.10962 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11690 180.7
[M+Na]+ 372.09884 188.4
[M+NH4]+ 367.14344 185.0
[M+K]+ 388.07278 184.7
[M-H]- 348.10234 181.5
[M+Na-2H]- 370.08429 184.9
[M]+ 349.10907 181.9
[M]- 349.11017 181.9
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

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