CID 89155

Benzenesulfonamide, 4-[(4-ethoxyphenyl)amino]-3-nitro-

Structural Information

Molecular Formula
C14H15N3O5S
SMILES
CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O5S/c1-2-22-11-5-3-10(4-6-11)16-13-8-7-12(23(15,20)21)9-14(13)17(18)19/h3-9,16H,2H2,1H3,(H2,15,20,21)
InChIKey
VNBLMPPORJRWNG-UHFFFAOYSA-N
Compound name
4-(4-ethoxyanilino)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

337.07324 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08052 170.8
[M+Na]+ 360.06246 176.3
[M-H]- 336.06596 177.1
[M+NH4]+ 355.10706 182.6
[M+K]+ 376.03640 168.1
[M+H-H2O]+ 320.07050 166.8
[M+HCOO]- 382.07144 191.3
[M+CH3COO]- 396.08709 204.6
[M+Na-2H]- 358.04791 177.4
[M]+ 337.07269 170.9
[M]- 337.07379 170.9
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.