PubChemLite - Sulfamazone (C23H24N6O7S2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)OC)S(=O)(=O)O

InChI

InChI=1S/C23H24N6O7S2/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8-17)22(38(33,34)35)24-16-9-11-18(12-10-16)37(31,32)27-19-13-14-20(36-3)26-25-19/h4-14,22,24H,1-3H3,(H,25,27)(H,33,34,35)

InChIKey

BGLHAKAJGYLSOX-UHFFFAOYSA-N

Compound name

(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]methanesulfonic acid

Related CIDs

2D Structure

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]+	561.12208	222.7
[M+Na]+	583.10402	232.7
[M+NH4]+	578.14862	223.7
[M+K]+	599.07796	229.0
[M-H]-	559.10752	225.0
[M+Na-2H]-	581.08947	229.8
[M]+	560.11425	225.2
[M]-	560.11535	225.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

561.12208

222.7

[M+Na]+

583.10402

232.7

[M+NH4]+

578.14862

223.7

[M+K]+

599.07796

229.0

[M-H]-

559.10752

225.0

[M+Na-2H]-

581.08947

229.8

[M]+

560.11425

225.2

[M]-

560.11535

225.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Sulfamazone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe