CID 456127

199852-25-0

Structural Information

Molecular Formula
C17H20N2O2S
SMILES
CC(C)C1=C(N2C(CSC2=NC1=O)OC)CC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O2S/c1-11(2)15-13(9-12-7-5-4-6-8-12)19-14(21-3)10-22-17(19)18-16(15)20/h4-8,11,14H,9-10H2,1-3H3
InChIKey
HPIRACFQFLXIEZ-UHFFFAOYSA-N
Compound name
5-benzyl-3-methoxy-6-propan-2-yl-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

316.12454 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13182 173.4
[M+Na]+ 339.11376 183.0
[M-H]- 315.11726 179.0
[M+NH4]+ 334.15836 189.2
[M+K]+ 355.08770 178.2
[M+H-H2O]+ 299.12180 165.7
[M+HCOO]- 361.12274 188.0
[M+CH3COO]- 375.13839 184.7
[M+Na-2H]- 337.09921 172.6
[M]+ 316.12399 178.4
[M]- 316.12509 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.