CID 3025461

103182-70-3

Structural Information

Molecular Formula
C13H18N2O3S
SMILES
COC1=CC=CC=C1OCC2N(CCS2)C(=O)CN
InChI
InChI=1S/C13H18N2O3S/c1-17-10-4-2-3-5-11(10)18-9-13-15(6-7-19-13)12(16)8-14/h2-5,13H,6-9,14H2,1H3
InChIKey
TYIRNXBSHLRFHB-UHFFFAOYSA-N
Compound name
2-amino-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

282.10382 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11110 164.1
[M+Na]+ 305.09304 170.0
[M-H]- 281.09654 168.8
[M+NH4]+ 300.13764 180.3
[M+K]+ 321.06698 167.1
[M+H-H2O]+ 265.10108 156.5
[M+HCOO]- 327.10202 180.5
[M+CH3COO]- 341.11767 198.0
[M+Na-2H]- 303.07849 162.5
[M]+ 282.10327 165.6
[M]- 282.10437 165.6
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