CID 6436332

Dtxsid2062539

Structural Information

Molecular Formula
C24H17N3O6S2
SMILES
C1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2)S(=O)(=O)O)N3N=C4C=CC5=C(C4=N3)C=CC(=C5)S(=O)(=O)O
InChI
InChI=1S/C24H17N3O6S2/c28-34(29,30)19-11-12-21-18(14-19)9-13-22-24(21)26-27(25-22)23-15-20(35(31,32)33)10-8-17(23)7-6-16-4-2-1-3-5-16/h1-15H,(H,28,29,30)(H,31,32,33)/b7-6+
InChIKey
YQFDOKPYHNBWES-VOTSOKGWSA-N
Compound name
2-[2-[(E)-2-phenylethenyl]-5-sulfophenyl]benzo[e]benzotriazole-7-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

507.05588 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.06316 214.4
[M+Na]+ 530.04510 229.0
[M+NH4]+ 525.08970 218.8
[M+K]+ 546.01904 221.2
[M-H]- 506.04860 216.8
[M+Na-2H]- 528.03055 221.8
[M]+ 507.05533 218.1
[M]- 507.05643 218.1
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