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]+ 353.168226 183.8
[M+Na]+ 375.150168 190.9
[M-H]- 351.153674 189.9
[M+NH4]+ 370.194773 198.6
[M+K]+ 391.124108 184.0
[M+H-H2O]+ 335.158210 174.7
[M+HCOO]- 397.159151 195.0
[M+CH3COO]- 411.174801 192.9
[M+Na-2H]- 373.135616 183.9
[M]+ 352.16040142 182.7
[M]- 352.16149858 182.7
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.