CID 19175

Acetyl sulfamethoxypyrazine

Structural Information

Molecular Formula
C13H14N4O4S
SMILES
CC(=O)N(C1=NC=CN=C1OC)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N4O4S/c1-9(18)17(12-13(21-2)16-8-7-15-12)22(19,20)11-5-3-10(14)4-6-11/h3-8H,14H2,1-2H3
InChIKey
GWVCIJWBGGVDJJ-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)sulfonyl-N-(3-methoxypyrazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3240
Patents

322.07358 Da
Monoisotopic Mass

0.2
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

No literature data available for this compound.

Patent stripe

patents stripe