CID 3039669

Thiazolidine, 3-(3,4,5-trimethoxybenzoyl)-

Structural Information

Molecular Formula
C13H17NO4S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCSC2
InChI
InChI=1S/C13H17NO4S/c1-16-10-6-9(7-11(17-2)12(10)18-3)13(15)14-4-5-19-8-14/h6-7H,4-5,8H2,1-3H3
InChIKey
QVCOQCFDDPUEJZ-UHFFFAOYSA-N
Compound name
1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08783 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 163.1
[M+Na]+ 306.07705 170.7
[M-H]- 282.08055 168.9
[M+NH4]+ 301.12165 180.2
[M+K]+ 322.05099 169.0
[M+H-H2O]+ 266.08509 156.2
[M+HCOO]- 328.08603 179.5
[M+CH3COO]- 342.10168 196.9
[M+Na-2H]- 304.06250 161.4
[M]+ 283.08728 168.3
[M]- 283.08838 168.3
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

patents stripe