CID 118483

33450-33-8

Structural Information

Molecular Formula
C31H27N5O3S
SMILES
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC=CC=C5
InChI
InChI=1S/C31H27N5O3S/c1-2-36(22-23-9-8-12-27(21-23)40(37,38)39)26-17-15-25(16-18-26)33-35-31-20-19-30(28-13-6-7-14-29(28)31)34-32-24-10-4-3-5-11-24/h3-21H,2,22H2,1H3,(H,37,38,39)
InChIKey
DRGCFWHBDSNHCE-UHFFFAOYSA-N
Compound name
3-[[N-ethyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]anilino]methyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.1835 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.19078 229.9
[M+Na]+ 572.17272 244.3
[M+NH4]+ 567.21732 236.8
[M+K]+ 588.14666 232.2
[M-H]- 548.17622 242.0
[M+Na-2H]- 570.15817 244.1
[M]+ 549.18295 235.9
[M]- 549.18405 235.9
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.