CID 44147749

71550-23-7

Structural Information

Molecular Formula
C27H26N4O5S2
SMILES
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)S(=O)(=O)O
InChI
InChI=1S/C27H26N4O5S2/c1-2-31(20-21-6-4-3-5-7-21)25-14-8-22(9-15-25)28-29-23-10-16-26(17-11-23)37(32,33)30-24-12-18-27(19-13-24)38(34,35)36/h3-19,30H,2,20H2,1H3,(H,34,35,36)
InChIKey
VREBJYRVZXLRRL-UHFFFAOYSA-N
Compound name
4-[[4-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]phenyl]sulfonylamino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.13446 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.14174 227.7
[M+Na]+ 573.12368 231.3
[M-H]- 549.12718 240.6
[M+NH4]+ 568.16828 231.4
[M+K]+ 589.09762 225.3
[M+H-H2O]+ 533.13172 215.5
[M+HCOO]- 595.13266 243.8
[M+CH3COO]- 609.14831 255.7
[M+Na-2H]- 571.10913 235.3
[M]+ 550.13391 231.7
[M]- 550.13501 231.7
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.