CID 1616136

Fluorescent brightener 46

Structural Information

Molecular Formula
C24H17N3O3S
SMILES
C1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2)N3N=C4C=CC5=CC=CC=C5C4=N3)S(=O)(=O)O
InChI
InChI=1S/C24H17N3O3S/c28-31(29,30)23-16-20(14-12-19(23)11-10-17-6-2-1-3-7-17)27-25-22-15-13-18-8-4-5-9-21(18)24(22)26-27/h1-16H,(H,28,29,30)/b11-10+
InChIKey
NERFNEXXWTXEMR-ZHACJKMWSA-N
Compound name
5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenylethenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

990
Patents

427.09906 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.10634 199.8
[M+Na]+ 450.08828 217.5
[M+NH4]+ 445.13288 206.9
[M+K]+ 466.06222 208.3
[M-H]- 426.09178 204.9
[M+Na-2H]- 448.07373 209.6
[M]+ 427.09851 204.5
[M]- 427.09961 204.5
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

patents stripe