CID 3070349

86346-89-6

Structural Information

Molecular Formula
C21H24N2O3S
SMILES
COC1=C(C=C(C=C1)C2(C(SC3=NCCN32)CCC4=CC=CC=C4)O)OC
InChI
InChI=1S/C21H24N2O3S/c1-25-17-10-9-16(14-18(17)26-2)21(24)19(27-20-22-12-13-23(20)21)11-8-15-6-4-3-5-7-15/h3-7,9-10,14,19,24H,8,11-13H2,1-2H3
InChIKey
YKBOZQARTSJORJ-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.15076 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15804 190.2
[M+Na]+ 407.13998 202.4
[M+NH4]+ 402.18458 199.5
[M+K]+ 423.11392 194.7
[M-H]- 383.14348 194.6
[M+Na-2H]- 405.12543 197.4
[M]+ 384.15021 193.8
[M]- 384.15131 193.8
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.