CID 135742403

3627-04-1

Structural Information

Molecular Formula
C20H21N3O8S2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)O
InChI
InChI=1S/C20H21N3O8S2/c1-3-23(4-2)13-5-6-16(18(24)9-13)21-22-17-10-14(32(26,27)28)7-12-8-15(33(29,30)31)11-19(25)20(12)17/h5-11,24-25H,3-4H2,1-2H3,(H,26,27,28)(H,29,30,31)
InChIKey
LDQGUZFHJKOWGX-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

495.077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.08428 208.4
[M+Na]+ 518.06622 216.0
[M+NH4]+ 513.11082 211.0
[M+K]+ 534.04016 210.6
[M-H]- 494.06972 209.3
[M+Na-2H]- 516.05167 212.6
[M]+ 495.07645 210.3
[M]- 495.07755 210.3
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