CID 3040469

1h-indole-3-methanamine, n-cyclopentyl-2-phenyl-

Structural Information

Molecular Formula
C20H22N2
SMILES
C1CCC(C1)NCC2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C20H22N2/c1-2-8-15(9-3-1)20-18(14-21-16-10-4-5-11-16)17-12-6-7-13-19(17)22-20/h1-3,6-9,12-13,16,21-22H,4-5,10-11,14H2
InChIKey
PEBPXUAXGYRENU-UHFFFAOYSA-N
Compound name
N-[(2-phenyl-1H-indol-3-yl)methyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.17828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.185556 166.8
[M+Na]+ 313.167498 172.9
[M-H]- 289.171004 174.9
[M+NH4]+ 308.212103 184.2
[M+K]+ 329.141438 165.9
[M+H-H2O]+ 273.175540 158.4
[M+HCOO]- 335.176481 188.9
[M+CH3COO]- 349.192131 177.8
[M+Na-2H]- 311.152946 169.2
[M]+ 290.17773142 163.4
[M]- 290.17882858 163.4
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.