CID 136058647

Ec 414-290-5

Structural Information

Molecular Formula
C20H21N3O5S
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O)O
InChI
InChI=1S/C20H21N3O5S/c1-3-23(4-2)13-9-10-16(17(24)11-13)21-22-20-15-8-6-5-7-14(15)19(12-18(20)25)29(26,27)28/h5-12,24-25H,3-4H2,1-2H3,(H,26,27,28)
InChIKey
IEOAXWNRKOFEJL-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

415.12018 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12746 194.9
[M+Na]+ 438.10940 205.7
[M+NH4]+ 433.15400 200.3
[M+K]+ 454.08334 198.7
[M-H]- 414.11290 198.9
[M+Na-2H]- 436.09485 201.3
[M]+ 415.11963 197.8
[M]- 415.12073 197.8
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.