CID 3039671

Brn 1158720

Structural Information

Molecular Formula
C14H17NO5S
SMILES
CC(=O)OC1=C(C=C(C=C1OC)C(=O)N2CCSC2)OC
InChI
InChI=1S/C14H17NO5S/c1-9(16)20-13-11(18-2)6-10(7-12(13)19-3)14(17)15-4-5-21-8-15/h6-7H,4-5,8H2,1-3H3
InChIKey
TZIXMAUTFKYZPV-UHFFFAOYSA-N
Compound name
[2,6-dimethoxy-4-(1,3-thiazolidine-3-carbonyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.08273 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.090006 169.8
[M+Na]+ 334.071948 176.6
[M-H]- 310.075454 175.5
[M+NH4]+ 329.116553 185.5
[M+K]+ 350.045888 175.2
[M+H-H2O]+ 294.079990 162.8
[M+HCOO]- 356.080931 185.1
[M+CH3COO]- 370.096581 201.5
[M+Na-2H]- 332.057396 166.8
[M]+ 311.08218142 175.3
[M]- 311.08327858 175.3
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.