CID 6510233

126826-50-4

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₂S

SMILES

CCN\1CCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H17N3O2S/c1-2-15-9-3-4-12(15)14-18(16,17)11-7-5-10(13)6-8-11/h5-8H,2-4,9,13H2,1H3/b14-12-

InChIKey

LZVKKZYKPGZBRA-OWBHPGMISA-N

Compound name

(NZ)-4-amino-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.10416 Da
Monoisotopic Mass: 0.9
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]+	268.111436	160.1
[M+Na]+	290.093378	167.5
[M-H]-	266.096884	166.5
[M+NH4]+	285.137983	177.5
[M+K]+	306.067318	163.7
[M+H-H2O]+	250.101420	152.8
[M+HCOO]-	312.102361	178.9
[M+CH3COO]-	326.118011	198.4
[M+Na-2H]-	288.078826	161.8
[M]+	267.10361142	159.7
[M]-	267.10470858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.