CID 3070367

86346-99-8

Structural Information

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

0
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 187.0
[M+Na]+ 391.14507 193.8
[M-H]- 367.14857 193.1
[M+NH4]+ 386.18967 201.0
[M+K]+ 407.11901 187.6
[M+H-H2O]+ 351.15311 177.8
[M+HCOO]- 413.15405 198.3
[M+CH3COO]- 427.16970 195.9
[M+Na-2H]- 389.13052 187.4
[M]+ 368.15530 187.3
[M]- 368.15640 187.3
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.