CID 209617

Imidazolidine, 1,3-salicyl-2-(2-thienyl)-

Structural Information

Molecular Formula
C21H22N2O2S
SMILES
C1CN(C(N1CC2=CC=CC=C2O)C3=CC=CS3)CC4=CC=CC=C4O
InChI
InChI=1S/C21H22N2O2S/c24-18-8-3-1-6-16(18)14-22-11-12-23(21(22)20-10-5-13-26-20)15-17-7-2-4-9-19(17)25/h1-10,13,21,24-25H,11-12,14-15H2
InChIKey
UHUSESCQLLQOJZ-UHFFFAOYSA-N
Compound name
2-[[3-[(2-hydroxyphenyl)methyl]-2-thiophen-2-ylimidazolidin-1-yl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1402 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14748 186.8
[M+Na]+ 389.12942 199.9
[M+NH4]+ 384.17402 194.8
[M+K]+ 405.10336 193.7
[M-H]- 365.13292 193.0
[M+Na-2H]- 387.11487 194.9
[M]+ 366.13965 190.9
[M]- 366.14075 190.9
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.