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 185.8
[M+Na]+ 389.12942 193.3
[M-H]- 365.13292 194.4
[M+NH4]+ 384.17402 198.5
[M+K]+ 405.10336 186.4
[M+H-H2O]+ 349.13746 177.8
[M+HCOO]- 411.13840 199.8
[M+CH3COO]- 425.15405 195.5
[M+Na-2H]- 387.11487 181.4
[M]+ 366.13965 185.7
[M]- 366.14075 185.7
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.