CID 19122

Sulfamethoxypyridazine acetyl

Structural Information

Molecular Formula
C13H14N4O4S
SMILES
CC(=O)N(C1=NN=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N4O4S/c1-9(18)17(12-7-8-13(21-2)16-15-12)22(19,20)11-5-3-10(14)4-6-11/h3-8H,14H2,1-2H3
InChIKey
PRQPWOFXPDTCSM-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)sulfonyl-N-(6-methoxypyridazin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

322.07358 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08086 170.7
[M+Na]+ 345.06280 178.3
[M-H]- 321.06630 176.2
[M+NH4]+ 340.10740 182.1
[M+K]+ 361.03674 175.6
[M+H-H2O]+ 305.07084 161.6
[M+HCOO]- 367.07178 188.2
[M+CH3COO]- 381.08743 209.9
[M+Na-2H]- 343.04825 174.7
[M]+ 322.07303 174.3
[M]- 322.07413 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe