CID 456303

199852-41-0

Structural Information

Molecular Formula
C21H22N2O2S
SMILES
CCC1=C(N2C(CSC2=NC1=O)OCC)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H22N2O2S/c1-3-16-18(12-15-10-7-9-14-8-5-6-11-17(14)15)23-19(25-4-2)13-26-21(23)22-20(16)24/h5-11,19H,3-4,12-13H2,1-2H3
InChIKey
PHHTWXDGVBBWDH-UHFFFAOYSA-N
Compound name
3-ethoxy-6-ethyl-5-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.1402 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14748 187.5
[M+Na]+ 389.12942 197.7
[M-H]- 365.13292 193.7
[M+NH4]+ 384.17402 202.2
[M+K]+ 405.10336 191.0
[M+H-H2O]+ 349.13746 178.9
[M+HCOO]- 411.13840 201.5
[M+CH3COO]- 425.15405 197.9
[M+Na-2H]- 387.11487 187.9
[M]+ 366.13965 193.4
[M]- 366.14075 193.4
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.