CID 53464642

Mpt0e028

Structural Information

Molecular Formula
C17H16N2O4S
SMILES
C1CN(C2=C1C=C(C=C2)/C=C/C(=O)NO)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-9,12,21H,10-11H2,(H,18,20)/b9-7+
InChIKey
MGTIFSBCGGAZDB-VQHVLOKHSA-N
Compound name
(E)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

118
Patents

344.08307 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09035 178.5
[M+Na]+ 367.07229 185.5
[M-H]- 343.07579 183.5
[M+NH4]+ 362.11689 192.5
[M+K]+ 383.04623 180.1
[M+H-H2O]+ 327.08033 171.6
[M+HCOO]- 389.08127 193.2
[M+CH3COO]- 403.09692 205.3
[M+Na-2H]- 365.05774 181.2
[M]+ 344.08252 179.7
[M]- 344.08362 179.7
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