CID 169838

36904-62-8

Structural Information

Molecular Formula
C24H27N5O3S
SMILES
CCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C
InChI
InChI=1S/C24H27N5O3S/c1-3-29(16-7-17-33(30,31)32)23-14-15-24(19(2)18-23)28-27-22-12-10-21(11-13-22)26-25-20-8-5-4-6-9-20/h4-6,8-15,18H,3,7,16-17H2,1-2H3,(H,30,31,32)
InChIKey
GUGHEWWDBIWUMU-UHFFFAOYSA-N
Compound name
3-[N-ethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.18347 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.19075 211.4
[M+Na]+ 488.17269 222.1
[M+NH4]+ 483.21729 217.2
[M+K]+ 504.14663 212.4
[M-H]- 464.17619 219.9
[M+Na-2H]- 486.15814 222.2
[M]+ 465.18292 215.6
[M]- 465.18402 215.6
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.