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 183.8
[M+Na]+ 375.15017 190.9
[M-H]- 351.15367 189.9
[M+NH4]+ 370.19477 198.6
[M+K]+ 391.12411 184.0
[M+H-H2O]+ 335.15821 174.7
[M+HCOO]- 397.15915 195.0
[M+CH3COO]- 411.17480 192.9
[M+Na-2H]- 373.13562 183.9
[M]+ 352.16040 182.7
[M]- 352.16150 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.