CID 3070335

86346-82-9

Structural Information

Molecular Formula
C21H24N2OS
SMILES
CC1=C(C(=CC=C1)C2(C(SC3=NCCN32)CCC4=CC=CC=C4)O)C
InChI
InChI=1S/C21H24N2OS/c1-15-7-6-10-18(16(15)2)21(24)19(25-20-22-13-14-23(20)21)12-11-17-8-4-3-5-9-17/h3-10,19,24H,11-14H2,1-2H3
InChIKey
XGUFXULAORMBPP-UHFFFAOYSA-N
Compound name
3-(2,3-dimethylphenyl)-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

352.16095 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.168226 184.4
[M+Na]+ 375.150168 193.7
[M-H]- 351.153674 192.0
[M+NH4]+ 370.194773 201.8
[M+K]+ 391.124108 187.1
[M+H-H2O]+ 335.158210 177.0
[M+HCOO]- 397.159151 198.1
[M+CH3COO]- 411.174801 195.0
[M+Na-2H]- 373.135616 182.0
[M]+ 352.16040142 186.5
[M]- 352.16149858 186.5
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.