CID 469778

4-methoxycarbonyl-3-(5-dimethylamino-1-naphthalenesulphonyl)-2-(3-pyridyl)thiazolidine

Structural Information

Molecular Formula
C22H23N3O4S2
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3C(CSC3C4=CN=CC=C4)C(=O)OC
InChI
InChI=1S/C22H23N3O4S2/c1-24(2)18-10-4-9-17-16(18)8-5-11-20(17)31(27,28)25-19(22(26)29-3)14-30-21(25)15-7-6-12-23-13-15/h4-13,19,21H,14H2,1-3H3
InChIKey
ZXTODGDQCRXOJM-UHFFFAOYSA-N
Compound name
methyl 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

457.113 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.12028 206.3
[M+Na]+ 480.10222 213.1
[M-H]- 456.10572 215.0
[M+NH4]+ 475.14682 215.8
[M+K]+ 496.07616 208.3
[M+H-H2O]+ 440.11026 198.2
[M+HCOO]- 502.11120 214.6
[M+CH3COO]- 516.12685 232.3
[M+Na-2H]- 478.08767 206.2
[M]+ 457.11245 211.3
[M]- 457.11355 211.3
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.