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 194.8
[M+Na]+ 415.21044 200.3
[M-H]- 391.21394 199.8
[M+NH4]+ 410.25504 204.8
[M+K]+ 431.18438 194.3
[M+H-H2O]+ 375.21848 185.4
[M+HCOO]- 437.21942 210.6
[M+CH3COO]- 451.23507 202.9
[M+Na-2H]- 413.19589 195.7
[M]+ 392.22067 195.0
[M]- 392.22177 195.0
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.