CID 21201

Disperse yellow 42

Structural Information

Molecular Formula
C18H15N3O4S
SMILES
C1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H15N3O4S/c22-21(23)18-13-16(26(24,25)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H
InChIKey
BBFRYSKTTHYWQZ-UHFFFAOYSA-N
Compound name
4-anilino-3-nitro-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1466
Patents

369.07834 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.08562 179.4
[M+Na]+ 392.06756 183.7
[M-H]- 368.07106 188.7
[M+NH4]+ 387.11216 189.3
[M+K]+ 408.04150 174.1
[M+H-H2O]+ 352.07560 174.1
[M+HCOO]- 414.07654 200.4
[M+CH3COO]- 428.09219 210.1
[M+Na-2H]- 390.05301 188.2
[M]+ 369.07779 177.6
[M]- 369.07889 177.6
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