CID 3074204

155346-62-6

Structural Information

Molecular Formula
C18H26N2O5S
SMILES
CN(CCC1=CC(=C(C=C1)OC)OC)CC(=O)N2CSCC2C(=O)OC
InChI
InChI=1S/C18H26N2O5S/c1-19(8-7-13-5-6-15(23-2)16(9-13)24-3)10-17(21)20-12-26-11-14(20)18(22)25-4/h5-6,9,14H,7-8,10-12H2,1-4H3
InChIKey
BFVSGYMJCSIKBH-UHFFFAOYSA-N
Compound name
methyl 3-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.15625 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.163526 190.9
[M+Na]+ 405.145468 195.0
[M-H]- 381.148974 197.0
[M+NH4]+ 400.190073 203.8
[M+K]+ 421.119408 194.0
[M+H-H2O]+ 365.153510 182.6
[M+HCOO]- 427.154451 206.2
[M+CH3COO]- 441.170101 221.6
[M+Na-2H]- 403.130916 186.2
[M]+ 382.15570142 198.2
[M]- 382.15679858 198.2
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.