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 212.0
[M+Na]+ 488.17269 216.2
[M-H]- 464.17619 225.9
[M+NH4]+ 483.21729 221.0
[M+K]+ 504.14663 212.6
[M+H-H2O]+ 448.18073 199.4
[M+HCOO]- 510.18167 238.3
[M+CH3COO]- 524.19732 252.6
[M+Na-2H]- 486.15814 217.6
[M]+ 465.18292 218.6
[M]- 465.18402 218.6
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.