CID 104083

52125-43-6

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
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 224.8
[M+Na]+ 468.11142 234.4
[M-H]- 444.11492 233.2
[M+NH4]+ 463.15602 232.8
[M+K]+ 484.08536 221.6
[M+H-H2O]+ 428.11946 211.1
[M+HCOO]- 490.12040 236.3
[M+CH3COO]- 504.13605 232.7
[M+Na-2H]- 466.09687 227.5
[M]+ 445.12165 222.3
[M]- 445.12275 222.3
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.