CID 343866

7403-18-1

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC3=NC=CN=C23)OC

InChI

InChI=1S/C16H15N3O3S/c1-11-3-5-13(6-4-11)23(20,21)19-15-10-12(22-2)9-14-16(15)18-8-7-17-14/h3-10,19H,1-2H3

InChIKey

VSLTWIBKZONEPS-UHFFFAOYSA-N

Compound name

N-(7-methoxyquinoxalin-5-yl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 329.0834 Da
Monoisotopic Mass: 2.1
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]+	330.090676	174.3
[M+Na]+	352.072618	184.0
[M-H]-	328.076124	179.7
[M+NH4]+	347.117223	186.7
[M+K]+	368.046558	178.6
[M+H-H2O]+	312.080660	165.3
[M+HCOO]-	374.081601	190.4
[M+CH3COO]-	388.097251	208.4
[M+Na-2H]-	350.058066	181.4
[M]+	329.08285142	178.7
[M]-	329.08394858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe