CID 44152950

94782-52-2

Structural Information

Molecular Formula
C18H21Cl2N3O5S
SMILES
CCN(CC)C1=C(C=C(C(=C1)OC)N=NC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)OC
InChI
InChI=1S/C18H21Cl2N3O5S/c1-5-23(6-2)15-10-16(27-3)14(9-17(15)28-4)22-21-13-7-12(20)18(8-11(13)19)29(24,25)26/h7-10H,5-6H2,1-4H3,(H,24,25,26)
InChIKey
TXJAVXCKNVMJID-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-[[4-(diethylamino)-2,5-dimethoxyphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.0579 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.06518 206.3
[M+Na]+ 484.04712 218.2
[M+NH4]+ 479.09172 211.7
[M+K]+ 500.02106 210.0
[M-H]- 460.05062 210.0
[M+Na-2H]- 482.03257 212.0
[M]+ 461.05735 210.0
[M]- 461.05845 210.0
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.