CID 15181147

23121-00-8

Structural Information

Molecular Formula
C25H21N2O4S
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C4=CC=CC=C43)O)[N+]#N
InChI
InChI=1S/C25H20N2O4S/c1-25(2,17-8-4-3-5-9-17)18-12-14-19(15-13-18)31-32(29,30)23-16-22(27-26)24(28)21-11-7-6-10-20(21)23/h3-16H,1-2H3/p+1
InChIKey
JESYNYNAHCTBAR-UHFFFAOYSA-O
Compound name
1-hydroxy-4-[4-(2-phenylpropan-2-yl)phenoxy]sulfonylnaphthalene-2-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

445.1222 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.12948 200.8
[M+Na]+ 468.11142 216.4
[M+NH4]+ 463.15602 205.5
[M+K]+ 484.08536 204.8
[M-H]- 444.11492 200.8
[M+Na-2H]- 466.09687 208.8
[M]+ 445.12165 203.3
[M]- 445.12275 203.3
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.