CID 3041005

53297-80-6

Structural Information

Molecular Formula

C₁₅H₁₄ClN₃O₃S

SMILES

C1C(=O)N(CN1C2=CC=CC=C2)C3=CC(=C(C=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C15H14ClN3O3S/c16-13-8-12(6-7-14(13)23(17,21)22)19-10-18(9-15(19)20)11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,17,21,22)

InChIKey

NKRVQFYMIPETJY-UHFFFAOYSA-N

Compound name

2-chloro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 351.04443 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.051706	179.6
[M+Na]+	374.033648	189.5
[M-H]-	350.037154	187.2
[M+NH4]+	369.078253	192.6
[M+K]+	390.007588	182.9
[M+H-H2O]+	334.041690	171.9
[M+HCOO]-	396.042631	190.6
[M+CH3COO]-	410.058281	207.6
[M+Na-2H]-	372.019096	179.5
[M]+	351.04388142	181.4
[M]-	351.04497858	181.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe