CID 120067

1,2-diphenyltryptamine

Structural Information

Molecular Formula
C22H20N2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C4=CC=CC=C4)CCN
InChI
InChI=1S/C22H20N2/c23-16-15-20-19-13-7-8-14-21(19)24(18-11-5-2-6-12-18)22(20)17-9-3-1-4-10-17/h1-14H,15-16,23H2
InChIKey
RUAJRKRPPGDWBK-UHFFFAOYSA-N
Compound name
2-(1,2-diphenylindol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

312.16266 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.169936 174.9
[M+Na]+ 335.151878 183.7
[M-H]- 311.155384 184.2
[M+NH4]+ 330.196483 190.3
[M+K]+ 351.125818 175.8
[M+H-H2O]+ 295.159920 165.3
[M+HCOO]- 357.160861 198.9
[M+CH3COO]- 371.176511 186.5
[M+Na-2H]- 333.137326 179.5
[M]+ 312.16211142 175.1
[M]- 312.16320858 175.1
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