CID 5353852

Oxamflatin

Structural Information

Molecular Formula
C17H14N2O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#C/C=C/C(=O)NO
InChI
InChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)/b12-5+
InChIKey
QRPSQQUYPMFERG-LFYBBSHMSA-N
Compound name
(E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

4144
Patents

342.0674 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07468 193.3
[M+Na]+ 365.05662 201.1
[M-H]- 341.06012 196.2
[M+NH4]+ 360.10122 203.6
[M+K]+ 381.03056 194.1
[M+H-H2O]+ 325.06466 179.4
[M+HCOO]- 387.06560 205.0
[M+CH3COO]- 401.08125 211.2
[M+Na-2H]- 363.04207 194.2
[M]+ 342.06685 187.4
[M]- 342.06795 187.4
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

patents stripe