CID 469780

3-(5-dimethylamino-1-naphthalenesulphonyl)-2-(4-hydroxy-3-methoxyphenyl)thiazolidine

Structural Information

Molecular Formula
C22H24N2O4S2
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCSC3C4=CC(=C(C=C4)O)OC
InChI
InChI=1S/C22H24N2O4S2/c1-23(2)18-8-4-7-17-16(18)6-5-9-21(17)30(26,27)24-12-13-29-22(24)15-10-11-19(25)20(14-15)28-3/h4-11,14,22,25H,12-13H2,1-3H3
InChIKey
ZJYLPSORXZYNQZ-UHFFFAOYSA-N
Compound name
4-[3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1,3-thiazolidin-2-yl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.11774 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.12502 202.7
[M+Na]+ 467.10696 209.9
[M-H]- 443.11046 211.5
[M+NH4]+ 462.15156 213.7
[M+K]+ 483.08090 204.5
[M+H-H2O]+ 427.11500 195.3
[M+HCOO]- 489.11594 211.5
[M+CH3COO]- 503.13159 229.2
[M+Na-2H]- 465.09241 202.7
[M]+ 444.11719 207.3
[M]- 444.11829 207.3
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.