CID 3070363

86346-97-6

Structural Information

Molecular Formula
C22H26N2O3S
SMILES
COC1=C(C=C(C=C1)C2(C(SC3=NCCCN32)CCC4=CC=CC=C4)O)OC
InChI
InChI=1S/C22H26N2O3S/c1-26-18-11-10-17(15-19(18)27-2)22(25)20(12-9-16-7-4-3-5-8-16)28-21-23-13-6-14-24(21)22/h3-5,7-8,10-11,15,20,25H,6,9,12-14H2,1-2H3
InChIKey
QJQBRZBYYJDECI-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-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

398.1664 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17368 194.2
[M+Na]+ 421.15562 207.3
[M+NH4]+ 416.20022 203.5
[M+K]+ 437.12956 197.1
[M-H]- 397.15912 199.2
[M+Na-2H]- 419.14107 202.2
[M]+ 398.16585 198.1
[M]- 398.16695 198.1
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.