CID 3074204

3-((n-methylhomoveratrylamino)acetyl)-4-methoxycarbonylthiazolidine oxalate

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]+ 383.16353 190.9
[M+Na]+ 405.14547 195.0
[M-H]- 381.14897 197.0
[M+NH4]+ 400.19007 203.8
[M+K]+ 421.11941 194.0
[M+H-H2O]+ 365.15351 182.6
[M+HCOO]- 427.15445 206.2
[M+CH3COO]- 441.17010 221.6
[M+Na-2H]- 403.13092 186.2
[M]+ 382.15570 198.2
[M]- 382.15680 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.