CID 3043427

Brn 4734813

Structural Information

Molecular Formula
C20H23N3O2S
SMILES
C1COCCN1CCCN2C(=O)CSC2=NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H23N3O2S/c24-19-15-26-20(23(19)10-4-9-22-11-13-25-14-12-22)21-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8H,4,9-15H2
InChIKey
SUVAAAOUYUFRPO-UHFFFAOYSA-N
Compound name
3-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1511 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15838 186.6
[M+Na]+ 392.14032 191.7
[M-H]- 368.14382 195.1
[M+NH4]+ 387.18492 198.0
[M+K]+ 408.11426 187.2
[M+H-H2O]+ 352.14836 176.8
[M+HCOO]- 414.14930 198.9
[M+CH3COO]- 428.16495 195.4
[M+Na-2H]- 390.12577 186.1
[M]+ 369.15055 185.3
[M]- 369.15165 185.3
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.