CID 2811782

Hms1663e18

Structural Information

Molecular Formula
C15H21N3O5S
SMILES
C1CCC(C1)(CC(=O)NNC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)O
InChI
InChI=1S/C15H21N3O5S/c16-24(22,23)12-5-3-11(4-6-12)17-18-13(19)9-15(10-14(20)21)7-1-2-8-15/h3-6,17H,1-2,7-10H2,(H,18,19)(H,20,21)(H2,16,22,23)
InChIKey
XEJBUPXPDPAYHY-UHFFFAOYSA-N
Compound name
2-[1-[2-oxo-2-[2-(4-sulfamoylphenyl)hydrazinyl]ethyl]cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

355.12018 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.127456 177.9
[M+Na]+ 378.109398 180.6
[M-H]- 354.112904 181.6
[M+NH4]+ 373.154003 192.0
[M+K]+ 394.083338 177.6
[M+H-H2O]+ 338.117440 171.6
[M+HCOO]- 400.118381 193.4
[M+CH3COO]- 414.134031 211.5
[M+Na-2H]- 376.094846 179.8
[M]+ 355.11963142 175.9
[M]- 355.12072858 175.9
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

No patent data available for this compound.