CID 472645

199852-12-5

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
CCC1=C(N2C(CSC2=NC1=O)OC)CC3=CC=CC=C3
InChI
InChI=1S/C16H18N2O2S/c1-3-12-13(9-11-7-5-4-6-8-11)18-14(20-2)10-21-16(18)17-15(12)19/h4-8,14H,3,9-10H2,1-2H3
InChIKey
VRBULHOOOOBZMQ-UHFFFAOYSA-N
Compound name
5-benzyl-6-ethyl-3-methoxy-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

302.1089 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 168.9
[M+Na]+ 325.09812 179.4
[M-H]- 301.10162 174.7
[M+NH4]+ 320.14272 185.4
[M+K]+ 341.07206 174.2
[M+H-H2O]+ 285.10616 161.2
[M+HCOO]- 347.10710 185.0
[M+CH3COO]- 361.12275 180.9
[M+Na-2H]- 323.08357 169.6
[M]+ 302.10835 174.1
[M]- 302.10945 174.1
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.