CID 100839

58764-34-4

Structural Information

Molecular Formula
C26H25N5O5S
SMILES
C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC=C3)S(=O)(=O)O)N=NC4=CC=C(C=C4)N(CCO)CCO
InChI
InChI=1S/C26H25N5O5S/c32-16-14-31(15-17-33)21-10-8-19(9-11-21)27-29-25-12-13-26(24-7-2-1-6-23(24)25)30-28-20-4-3-5-22(18-20)37(34,35)36/h1-13,18,32-33H,14-17H2,(H,34,35,36)
InChIKey
FKHADEPATJCRGQ-UHFFFAOYSA-N
Compound name
3-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

519.15765 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.16493 217.1
[M+Na]+ 542.14687 220.6
[M-H]- 518.15037 228.8
[M+NH4]+ 537.19147 223.0
[M+K]+ 558.12081 217.1
[M+H-H2O]+ 502.15491 204.9
[M+HCOO]- 564.15585 239.6
[M+CH3COO]- 578.17150 257.7
[M+Na-2H]- 540.13232 225.4
[M]+ 519.15710 222.7
[M]- 519.15820 222.7
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.