CID 105414

Disperse yellow 86

Structural Information

Molecular Formula
C16H19N3O5S
SMILES
CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]
InChI
InChI=1S/C16H19N3O5S/c1-4-24-13-7-5-12(6-8-13)17-15-10-9-14(11-16(15)19(20)21)25(22,23)18(2)3/h5-11,17H,4H2,1-3H3
InChIKey
SIFKXZAVMBSRMB-UHFFFAOYSA-N
Compound name
4-(4-ethoxyanilino)-N,N-dimethyl-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

102
Patents

365.10455 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11183 180.1
[M+Na]+ 388.09377 184.8
[M-H]- 364.09727 188.0
[M+NH4]+ 383.13837 191.6
[M+K]+ 404.06771 178.0
[M+H-H2O]+ 348.10181 175.5
[M+HCOO]- 410.10275 201.0
[M+CH3COO]- 424.11840 214.4
[M+Na-2H]- 386.07922 186.1
[M]+ 365.10400 183.0
[M]- 365.10510 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe