CID 469775

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
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

patents stripe