CID 57905

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

Structural Information

Molecular Formula
C23H28N4O2
SMILES
CCC(C)(N(CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)OC)C4=NCCN4)O
InChI
InChI=1S/C23H28N4O2/c1-4-23(2,28)27(22-24-13-14-25-22)15-19-18-7-5-6-8-20(18)26-21(19)16-9-11-17(29-3)12-10-16/h5-12,26,28H,4,13-15H2,1-3H3,(H,24,25)
InChIKey
LKKRIGMUJOPRHS-UHFFFAOYSA-N
Compound name
2-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.22122 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22850 195.4
[M+Na]+ 415.21044 206.6
[M+NH4]+ 410.25504 201.1
[M+K]+ 431.18438 204.5
[M-H]- 391.21394 198.6
[M+Na-2H]- 413.19589 201.9
[M]+ 392.22067 197.7
[M]- 392.22177 197.7
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.