CID 3074759

161364-72-3

Structural Information

Molecular Formula
C20H31N3O4S
SMILES
CCN(CC)CCNC(=O)CC(=O)N1CCSC1COC2=CC=CC=C2OC
InChI
InChI=1S/C20H31N3O4S/c1-4-22(5-2)11-10-21-18(24)14-19(25)23-12-13-28-20(23)15-27-17-9-7-6-8-16(17)26-3/h6-9,20H,4-5,10-15H2,1-3H3,(H,21,24)
InChIKey
JFRFDXHVDSUSKP-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.20352 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.21080 200.0
[M+Na]+ 432.19274 201.6
[M-H]- 408.19624 205.3
[M+NH4]+ 427.23734 211.2
[M+K]+ 448.16668 199.6
[M+H-H2O]+ 392.20078 190.7
[M+HCOO]- 454.20172 215.5
[M+CH3COO]- 468.21737 229.2
[M+Na-2H]- 430.17819 195.6
[M]+ 409.20297 205.5
[M]- 409.20407 205.5
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.