CID 464740

3-[2-(4-amino-2-oxo-pyrimidin-1-yl)ethyl]-2-(benzyloxymethyl)thiazolidin-4-one

Structural Information

Molecular Formula
C17H20N4O3S
SMILES
C1C(=O)N(C(S1)COCC2=CC=CC=C2)CCN3C=CC(=NC3=O)N
InChI
InChI=1S/C17H20N4O3S/c18-14-6-7-20(17(23)19-14)8-9-21-15(22)12-25-16(21)11-24-10-13-4-2-1-3-5-13/h1-7,16H,8-12H2,(H2,18,19,23)
InChIKey
JZSMIDBHXNANLU-UHFFFAOYSA-N
Compound name
3-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1256 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13288 183.0
[M+Na]+ 383.11482 190.9
[M-H]- 359.11832 188.6
[M+NH4]+ 378.15942 193.3
[M+K]+ 399.08876 184.9
[M+H-H2O]+ 343.12286 173.1
[M+HCOO]- 405.12380 198.2
[M+CH3COO]- 419.13945 212.9
[M+Na-2H]- 381.10027 181.5
[M]+ 360.12505 185.0
[M]- 360.12615 185.0
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.