CID 1616136

Sodium 4-(2h-naphtho[1,2-d]triazol-2-yl)stilbene-2-sulphonate

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

1115
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 203.7
[M+Na]+ 450.08828 215.0
[M-H]- 426.09178 211.2
[M+NH4]+ 445.13288 212.8
[M+K]+ 466.06222 206.1
[M+H-H2O]+ 410.09632 194.0
[M+HCOO]- 472.09726 216.7
[M+CH3COO]- 486.11291 212.7
[M+Na-2H]- 448.07373 208.2
[M]+ 427.09851 208.1
[M]- 427.09961 208.1
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