CID 53691

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

Structural Information

Molecular Formula
C21H25N4O2
SMILES
COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C[N+](=C4NCCN4)CCO
InChI
InChI=1S/C21H24N4O2/c1-27-16-8-6-15(7-9-16)20-18(17-4-2-3-5-19(17)24-20)14-25(12-13-26)21-22-10-11-23-21/h2-9,24,26H,10-14H2,1H3,(H,22,23)/p+1
InChIKey
WLMKWJBKTFCZLS-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-imidazolidin-2-ylidene-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.19775 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20503 186.9
[M+Na]+ 388.18697 191.4
[M-H]- 364.19047 190.4
[M+NH4]+ 383.23157 196.7
[M+K]+ 404.16091 178.4
[M+H-H2O]+ 348.19501 179.8
[M+HCOO]- 410.19595 202.0
[M+CH3COO]- 424.21160 202.9
[M+Na-2H]- 386.17242 189.1
[M]+ 365.19720 181.8
[M]- 365.19830 181.8
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.