CID 209619

Brn 0938851

Structural Information

Molecular Formula
C23H23IN2O2
SMILES
C1CN(C(N1CC2=CC=CC=C2O)C3=CC(=CC=C3)I)CC4=CC=CC=C4O
InChI
InChI=1S/C23H23IN2O2/c24-20-9-5-8-17(14-20)23-25(15-18-6-1-3-10-21(18)27)12-13-26(23)16-19-7-2-4-11-22(19)28/h1-11,14,23,27-28H,12-13,15-16H2
InChIKey
DTQDMEYVJHVWST-UHFFFAOYSA-N
Compound name
2-[[3-[(2-hydroxyphenyl)methyl]-2-(3-iodophenyl)imidazolidin-1-yl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.08044 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.08772 197.8
[M+Na]+ 509.06966 196.8
[M-H]- 485.07316 197.4
[M+NH4]+ 504.11426 202.3
[M+K]+ 525.04360 195.2
[M+H-H2O]+ 469.07770 183.4
[M+HCOO]- 531.07864 209.0
[M+CH3COO]- 545.09429 201.8
[M+Na-2H]- 507.05511 185.1
[M]+ 486.07989 192.0
[M]- 486.08099 192.0
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.