CID 3074749

2-((2-methoxyphenoxy)methyl)-3-(1-oxopropyl)thiazolidine

Structural Information

Molecular Formula
C14H19NO3S
SMILES
CCC(=O)N1CCSC1COC2=CC=CC=C2OC
InChI
InChI=1S/C14H19NO3S/c1-3-13(16)15-8-9-19-14(15)10-18-12-7-5-4-6-11(12)17-2/h4-7,14H,3,8-10H2,1-2H3
InChIKey
RTLWTLDGCQAXOZ-UHFFFAOYSA-N
Compound name
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10855 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11583 165.0
[M+Na]+ 304.09777 171.6
[M-H]- 280.10127 170.3
[M+NH4]+ 299.14237 182.0
[M+K]+ 320.07171 169.0
[M+H-H2O]+ 264.10581 157.8
[M+HCOO]- 326.10675 180.9
[M+CH3COO]- 340.12240 196.6
[M+Na-2H]- 302.08322 163.2
[M]+ 281.10800 168.7
[M]- 281.10910 168.7
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.