CID 114821

Sulfamethoxazole hydroxylamine

Structural Information

Molecular Formula
C10H11N3O4S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO
InChI
InChI=1S/C10H11N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6,11,14H,1H3,(H,12,13)
InChIKey
MJAMPGKHIZXVFJ-UHFFFAOYSA-N
Compound name
4-(hydroxyamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

49
References

12
Patents

269.04703 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05431 155.7
[M+Na]+ 292.03625 164.3
[M-H]- 268.03975 161.5
[M+NH4]+ 287.08085 170.4
[M+K]+ 308.01019 161.7
[M+H-H2O]+ 252.04429 148.8
[M+HCOO]- 314.04523 175.1
[M+CH3COO]- 328.06088 193.6
[M+Na-2H]- 290.02170 161.5
[M]+ 269.04648 158.6
[M]- 269.04758 158.6
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