CID 80919

6441-96-9

Structural Information

Molecular Formula
C18H14ClN3O6S
SMILES
CC(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=C(C(=CC(=C3)Cl)S(=O)(=O)O)O
InChI
InChI=1S/C18H14ClN3O6S/c1-9(23)20-12-4-2-3-10-5-6-14(24)17(16(10)12)22-21-13-7-11(19)8-15(18(13)25)29(26,27)28/h2-8,24-25H,1H3,(H,20,23)(H,26,27,28)
InChIKey
OLSGVCIHZISXLU-UHFFFAOYSA-N
Compound name
3-[(8-acetamido-2-hydroxynaphthalen-1-yl)diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

435.02917 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.03645 195.5
[M+Na]+ 458.01839 206.9
[M+NH4]+ 453.06299 200.3
[M+K]+ 473.99233 200.4
[M-H]- 434.02189 198.5
[M+Na-2H]- 456.00384 201.1
[M]+ 435.02862 198.4
[M]- 435.02972 198.4
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

patents stripe