CID 108015

N-acetylsulfamethazine

Structural Information

Molecular Formula

C₁₄H₁₆N₄O₃S

SMILES

CC1=CC(=NC(=N1)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)N)C

InChI

InChI=1S/C14H16N4O3S/c1-9-8-10(2)17-14(16-9)18(11(3)19)22(20,21)13-6-4-12(15)5-7-13/h4-8H,15H2,1-3H3

InChIKey

VRYCOLRKKCBJJI-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)sulfonyl-N-(4,6-dimethylpyrimidin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 6
Patents: 320.0943 Da
Monoisotopic Mass: 1.1
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]+	321.101576	172.4
[M+Na]+	343.083518	180.7
[M-H]-	319.087024	178.2
[M+NH4]+	338.128123	184.3
[M+K]+	359.057458	177.1
[M+H-H2O]+	303.091560	163.5
[M+HCOO]-	365.092501	189.3
[M+CH3COO]-	379.108151	211.9
[M+Na-2H]-	341.068966	175.0
[M]+	320.09375142	175.4
[M]-	320.09484858	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe