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

2
Patents

283.08783 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.095106 163.1
[M+Na]+ 306.077048 170.7
[M-H]- 282.080554 168.9
[M+NH4]+ 301.121653 180.2
[M+K]+ 322.050988 169.0
[M+H-H2O]+ 266.085090 156.2
[M+HCOO]- 328.086031 179.5
[M+CH3COO]- 342.101681 196.9
[M+Na-2H]- 304.062496 161.4
[M]+ 283.08728142 168.3
[M]- 283.08837858 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