CID 3070355

86346-93-2

Structural Information

Molecular Formula
C21H24N2O2S
SMILES
COC1=CC=CC(=C1)C2(C(SC3=NCCCN32)CCC4=CC=CC=C4)O
InChI
InChI=1S/C21H24N2O2S/c1-25-18-10-5-9-17(15-18)21(24)19(12-11-16-7-3-2-4-8-16)26-20-22-13-6-14-23(20)21/h2-5,7-10,15,19,24H,6,11-14H2,1H3
InChIKey
QUNKAEXJOCSJPI-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

368.15585 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16313 186.3
[M+Na]+ 391.14507 199.9
[M+NH4]+ 386.18967 196.5
[M+K]+ 407.11901 189.2
[M-H]- 367.14857 191.8
[M+Na-2H]- 389.13052 195.2
[M]+ 368.15530 190.6
[M]- 368.15640 190.6
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

patents stripe