CID 44062

2-(2-((3,3-diphenylpropyl)amino)ethyl)indole dihydrochloride

Structural Information

Molecular Formula
C25H26N2
SMILES
C1=CC=C(C=C1)C(CCNCCC2=CC3=CC=CC=C3N2)C4=CC=CC=C4
InChI
InChI=1S/C25H26N2/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)16-18-26-17-15-23-19-22-13-7-8-14-25(22)27-23/h1-14,19,24,26-27H,15-18H2
InChIKey
ZWBASLWMAXDPOS-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-2-yl)ethyl]-3,3-diphenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.2096 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.216876 186.2
[M+Na]+ 377.198818 190.8
[M-H]- 353.202324 193.2
[M+NH4]+ 372.243423 198.5
[M+K]+ 393.172758 182.3
[M+H-H2O]+ 337.206860 175.9
[M+HCOO]- 399.207801 207.2
[M+CH3COO]- 413.223451 195.1
[M+Na-2H]- 375.184266 190.2
[M]+ 354.20905142 185.0
[M]- 354.21014858 185.0
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.