CID 3070357

86346-94-3

Structural Information

Molecular Formula
C21H24N2OS
SMILES
CC1=CC=CC=C1C2(C(SC3=NCCCN32)CCC4=CC=CC=C4)O
InChI
InChI=1S/C21H24N2OS/c1-16-8-5-6-11-18(16)21(24)19(13-12-17-9-3-2-4-10-17)25-20-22-14-7-15-23(20)21/h2-6,8-11,19,24H,7,12-15H2,1H3
InChIKey
IKYVXWRITMWFMK-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-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

352.16095 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16823 183.0
[M+Na]+ 375.15017 197.1
[M+NH4]+ 370.19477 193.7
[M+K]+ 391.12411 185.9
[M-H]- 351.15367 189.0
[M+Na-2H]- 373.13562 192.3
[M]+ 352.16040 187.5
[M]- 352.16150 187.5
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.