CID 59122

101931-20-8

Structural Information

Molecular Formula
C20H19Cl2N3O6S2
SMILES
C1=CC2=C(C=C(C=C2S(=O)(=O)O)N=NC3=CC=C(C=C3)N(CCCl)CCCl)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C20H19Cl2N3O6S2/c21-8-10-25(11-9-22)16-6-4-14(5-7-16)23-24-15-12-18-17(20(13-15)33(29,30)31)2-1-3-19(18)32(26,27)28/h1-7,12-13H,8-11H2,(H,26,27,28)(H,29,30,31)
InChIKey
AZKAYVZYOJQXRF-UHFFFAOYSA-N
Compound name
3-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.0092 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.01648 217.4
[M+Na]+ 553.99842 227.7
[M+NH4]+ 549.04302 222.2
[M+K]+ 569.97236 218.4
[M-H]- 530.00192 220.0
[M+Na-2H]- 551.98387 223.3
[M]+ 531.00865 220.9
[M]- 531.00975 220.9
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.