CID 3018882

Einecs 279-296-0

Structural Information

Molecular Formula
C22H18N4O3S
SMILES
C1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C=C2)N=NC4=C(C=CC(=C4)S(=O)(=O)N)O
InChI
InChI=1S/C22H18N4O3S/c23-30(28,29)17-11-13-21(27)20(14-17)25-26-22-18-9-5-4-6-15(18)10-12-19(22)24-16-7-2-1-3-8-16/h1-14,24,27H,(H2,23,28,29)
InChIKey
VXKOKPOHVKXVHM-UHFFFAOYSA-N
Compound name
3-[(2-anilinonaphthalen-1-yl)diazenyl]-4-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.10995 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.117226 193.7
[M+Na]+ 441.099168 200.8
[M-H]- 417.102674 204.9
[M+NH4]+ 436.143773 204.0
[M+K]+ 457.073108 194.7
[M+H-H2O]+ 401.107210 183.5
[M+HCOO]- 463.108151 215.4
[M+CH3COO]- 477.123801 203.4
[M+Na-2H]- 439.084616 201.9
[M]+ 418.10940142 195.1
[M]- 418.11049858 195.1
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.