CID 1324494

C188-9

Structural Information

Molecular Formula
C27H21NO5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O
InChI
InChI=1S/C27H21NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,28-30H,1H3
InChIKey
QDCJDYWGYVPBDO-UHFFFAOYSA-N
Compound name
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

109
Patents

471.11404 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.12132 210.0
[M+Na]+ 494.10326 218.6
[M-H]- 470.10676 219.2
[M+NH4]+ 489.14786 218.2
[M+K]+ 510.07720 212.1
[M+H-H2O]+ 454.11130 199.9
[M+HCOO]- 516.11224 224.1
[M+CH3COO]- 530.12789 218.3
[M+Na-2H]- 492.08871 216.3
[M]+ 471.11349 214.9
[M]- 471.11459 214.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe