CID 43154654

4-n-methyl-sulfamethoxazole

Structural Information

Molecular Formula
C11H13N3O3S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC
InChI
InChI=1S/C11H13N3O3S/c1-8-7-11(13-17-8)14-18(15,16)10-5-3-9(12-2)4-6-10/h3-7,12H,1-2H3,(H,13,14)
InChIKey
ZRXDSRHCGYXVTI-UHFFFAOYSA-N
Compound name
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.06775 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07503 157.4
[M+Na]+ 290.05697 166.4
[M-H]- 266.06047 164.6
[M+NH4]+ 285.10157 173.2
[M+K]+ 306.03091 163.9
[M+H-H2O]+ 250.06501 150.3
[M+HCOO]- 312.06595 177.8
[M+CH3COO]- 326.08160 196.6
[M+Na-2H]- 288.04242 162.9
[M]+ 267.06720 161.2
[M]- 267.06830 161.2
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

No patent data available for this compound.