CID 3020586

85252-31-9

Structural Information

Molecular Formula
C18H14N4O5S
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C18H14N4O5S/c23-22(24)21(16-4-2-1-3-5-16)17-10-6-14(7-11-17)19-20-15-8-12-18(13-9-15)28(25,26)27/h1-13H,(H,25,26,27)
InChIKey
TYCWUWUHPUSBGR-UHFFFAOYSA-N
Compound name
4-[[4-(N-nitroanilino)phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.06848 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.07576 185.8
[M+Na]+ 421.05770 189.6
[M-H]- 397.06120 197.6
[M+NH4]+ 416.10230 195.1
[M+K]+ 437.03164 182.3
[M+H-H2O]+ 381.06574 179.3
[M+HCOO]- 443.06668 209.8
[M+CH3COO]- 457.08233 221.3
[M+Na-2H]- 419.04315 195.4
[M]+ 398.06793 186.6
[M]- 398.06903 186.6
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.