CID 106351

68003-39-4

Structural Information

Molecular Formula
C15H16N2O4S
SMILES
CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C
InChI
InChI=1S/C15H16N2O4S/c1-3-16(13-7-5-4-6-8-13)22(20,21)15-11-14(17(18)19)10-9-12(15)2/h4-11H,3H2,1-2H3
InChIKey
BLAXIVFXXRDMRT-UHFFFAOYSA-N
Compound name
N-ethyl-2-methyl-5-nitro-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.08307 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09035 170.1
[M+Na]+ 343.07229 175.9
[M-H]- 319.07579 178.2
[M+NH4]+ 338.11689 183.8
[M+K]+ 359.04623 168.7
[M+H-H2O]+ 303.08033 166.3
[M+HCOO]- 365.08127 190.4
[M+CH3COO]- 379.09692 203.2
[M+Na-2H]- 341.05774 175.9
[M]+ 320.08252 171.9
[M]- 320.08362 171.9
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.