CID 53687

2-(n-(2-imidazolin-2-yl)-n-(2-phenyl-3-indolylmethyl)amino)ethanol hydriodide

Structural Information

Molecular Formula
C20H23N4O
SMILES
C1CNC(=[N+](CCO)CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4)N1
InChI
InChI=1S/C20H22N4O/c25-13-12-24(20-21-10-11-22-20)14-17-16-8-4-5-9-18(16)23-19(17)15-6-2-1-3-7-15/h1-9,23,25H,10-14H2,(H,21,22)/p+1
InChIKey
NIZMNMCWYNRQMD-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-imidazolidin-2-ylidene-[(2-phenyl-1H-indol-3-yl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1872 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19448 178.8
[M+Na]+ 358.17642 183.2
[M-H]- 334.17992 182.1
[M+NH4]+ 353.22102 189.7
[M+K]+ 374.15036 169.8
[M+H-H2O]+ 318.18446 171.8
[M+HCOO]- 380.18540 194.2
[M+CH3COO]- 394.20105 196.7
[M+Na-2H]- 356.16187 182.1
[M]+ 335.18665 171.7
[M]- 335.18775 171.7
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.