CID 5019347

102441-39-4

Structural Information

Molecular Formula
C22H20N2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(CN)C4=CC=CC=C4
InChI
InChI=1S/C22H20N2/c23-15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)24-22(21)17-11-5-2-6-12-17/h1-14,19,24H,15,23H2
InChIKey
VWDKTWOKEKGMSJ-UHFFFAOYSA-N
Compound name
2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

312.16266 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.169936 174.1
[M+Na]+ 335.151878 181.1
[M-H]- 311.155384 181.8
[M+NH4]+ 330.196483 188.3
[M+K]+ 351.125818 173.0
[M+H-H2O]+ 295.159920 164.8
[M+HCOO]- 357.160861 195.6
[M+CH3COO]- 371.176511 184.6
[M+Na-2H]- 333.137326 178.1
[M]+ 312.16211142 171.5
[M]- 312.16320858 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe