CID 67001

116-34-7

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₄S

SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H15N3O4S/c1-2-16(11-6-4-3-5-7-11)22(20,21)14-10-12(17(18)19)8-9-13(14)15/h3-10H,2,15H2,1H3

InChIKey

AGSWRZMLPKYDNM-UHFFFAOYSA-N

Compound name

2-amino-N-ethyl-5-nitro-N-phenylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 3
Patents: 321.07834 Da
Monoisotopic Mass: 2.7
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]+	322.08562	166.0
[M+Na]+	344.06756	177.4
[M+NH4]+	339.11216	172.7
[M+K]+	360.04150	173.5
[M-H]-	320.07106	171.1
[M+Na-2H]-	342.05301	173.7
[M]+	321.07779	169.2
[M]-	321.07889	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe