CID 53689

1-(n-(2-imidazolin-2-yl)-n-(2-phenyl-3-indolylmethyl)amino)-1-butanol hydriodide

Structural Information

Molecular Formula
C22H26N4O
SMILES
CCCC(N(CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C4=NCCN4)O
InChI
InChI=1S/C22H26N4O/c1-2-8-20(27)26(22-23-13-14-24-22)15-18-17-11-6-7-12-19(17)25-21(18)16-9-4-3-5-10-16/h3-7,9-12,20,25,27H,2,8,13-15H2,1H3,(H,23,24)
InChIKey
JLOVLWTWBVHQAS-UHFFFAOYSA-N
Compound name
1-[4,5-dihydro-1H-imidazol-2-yl-[(2-phenyl-1H-indol-3-yl)methyl]amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.21066 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21794 185.7
[M+Na]+ 385.19988 190.4
[M-H]- 361.20338 190.2
[M+NH4]+ 380.24448 196.5
[M+K]+ 401.17382 183.7
[M+H-H2O]+ 345.20792 175.6
[M+HCOO]- 407.20886 202.4
[M+CH3COO]- 421.22451 193.8
[M+Na-2H]- 383.18533 185.6
[M]+ 362.21011 183.7
[M]- 362.21121 183.7
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.