CID 469777

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

Structural Information

Molecular Formula
C20H21N3O2S2
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCSC3C4=CC=NC=C4
InChI
InChI=1S/C20H21N3O2S2/c1-22(2)18-7-3-6-17-16(18)5-4-8-19(17)27(24,25)23-13-14-26-20(23)15-9-11-21-12-10-15/h3-12,20H,13-14H2,1-2H3
InChIKey
KBDNUNRRZUQLJD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-[(2-pyridin-4-yl-1,3-thiazolidin-3-yl)sulfonyl]naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.1075 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.11478 192.1
[M+Na]+ 422.09672 200.2
[M-H]- 398.10022 201.0
[M+NH4]+ 417.14132 204.3
[M+K]+ 438.07066 194.2
[M+H-H2O]+ 382.10476 184.0
[M+HCOO]- 444.10570 201.8
[M+CH3COO]- 458.12135 201.5
[M+Na-2H]- 420.08217 193.4
[M]+ 399.10695 194.8
[M]- 399.10805 194.8
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

No patent data available for this compound.