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]+ 355.21688 186.2
[M+Na]+ 377.19882 190.8
[M-H]- 353.20232 193.2
[M+NH4]+ 372.24342 198.5
[M+K]+ 393.17276 182.3
[M+H-H2O]+ 337.20686 175.9
[M+HCOO]- 399.20780 207.2
[M+CH3COO]- 413.22345 195.1
[M+Na-2H]- 375.18427 190.2
[M]+ 354.20905 185.0
[M]- 354.21015 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.