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 167.2
[M+Na]+ 343.07229 180.0
[M+NH4]+ 338.11689 174.4
[M+K]+ 359.04623 175.2
[M-H]- 319.07579 172.2
[M+Na-2H]- 341.05774 175.4
[M]+ 320.08252 170.8
[M]- 320.08362 170.8
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.