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]+ 312.09001 169.8
[M+Na]+ 334.07195 176.6
[M-H]- 310.07545 175.5
[M+NH4]+ 329.11655 185.5
[M+K]+ 350.04589 175.2
[M+H-H2O]+ 294.07999 162.8
[M+HCOO]- 356.08093 185.1
[M+CH3COO]- 370.09658 201.5
[M+Na-2H]- 332.05740 166.8
[M]+ 311.08218 175.3
[M]- 311.08328 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.