CID 9883549

Einecs 283-029-3

Structural Information

Molecular Formula

C₁₄H₁₆N₄O₃S

SMILES

CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C14H16N4O3S/c1-10-8-18-13(9-17-10)14(19)16-7-6-11-2-4-12(5-3-11)22(15,20)21/h2-5,8-9H,6-7H2,1H3,(H,16,19)(H2,15,20,21)

InChIKey

IMEZLHZLIANIAS-UHFFFAOYSA-N

Compound name

5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 58
Patents: 320.0943 Da
Monoisotopic Mass: -0.5
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]+	321.10158	172.3
[M+Na]+	343.08352	179.7
[M-H]-	319.08702	176.2
[M+NH4]+	338.12812	183.3
[M+K]+	359.05746	174.6
[M+H-H2O]+	303.09156	163.4
[M+HCOO]-	365.09250	188.8
[M+CH3COO]-	379.10815	207.4
[M+Na-2H]-	341.06897	176.3
[M]+	320.09375	173.7
[M]-	320.09485	173.7

Literature stripe

literature stripe

Patent stripe

patents stripe