CID 170111

Benzoic acid, 2-[[[(1-methylethyl)amino]sulfonyl]amino]-

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CC(C)NS(=O)(=O)NC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C10H14N2O4S/c1-7(2)11-17(15,16)12-9-6-4-3-5-8(9)10(13)14/h3-7,11-12H,1-2H3,(H,13,14)
InChIKey
QYNUKEJTUODYDD-UHFFFAOYSA-N
Compound name
2-(propan-2-ylsulfamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0674 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07468 154.2
[M+Na]+ 281.05662 159.8
[M-H]- 257.06012 156.4
[M+NH4]+ 276.10122 169.7
[M+K]+ 297.03056 157.2
[M+H-H2O]+ 241.06466 147.7
[M+HCOO]- 303.06560 171.2
[M+CH3COO]- 317.08125 194.7
[M+Na-2H]- 279.04207 157.2
[M]+ 258.06685 155.2
[M]- 258.06795 155.2
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

patents stripe