CID 3113406

N-isobutyl-4-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CC(C)CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O4S/c1-8(2)7-11-17(15,16)10-5-3-9(4-6-10)12(13)14/h3-6,8,11H,7H2,1-2H3
InChIKey
QIEVLZQUEZLVSY-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

258.0674 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07468 152.7
[M+Na]+ 281.05662 158.4
[M-H]- 257.06012 156.4
[M+NH4]+ 276.10122 168.6
[M+K]+ 297.03056 151.8
[M+H-H2O]+ 241.06466 150.7
[M+HCOO]- 303.06560 171.8
[M+CH3COO]- 317.08125 188.5
[M+Na-2H]- 279.04207 158.5
[M]+ 258.06685 153.1
[M]- 258.06795 153.1
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