CID 106351

2-methyl-5-nitro-n-ethylbenzenesulfonanilide

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
2
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]+ 321.090346 170.1
[M+Na]+ 343.072288 175.9
[M-H]- 319.075794 178.2
[M+NH4]+ 338.116893 183.8
[M+K]+ 359.046228 168.7
[M+H-H2O]+ 303.080330 166.3
[M+HCOO]- 365.081271 190.4
[M+CH3COO]- 379.096921 203.2
[M+Na-2H]- 341.057736 175.9
[M]+ 320.08252142 171.9
[M]- 320.08361858 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.