CID 3040469

Brn 0428337

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]+ 291.18556 166.8
[M+Na]+ 313.16750 172.9
[M-H]- 289.17100 174.9
[M+NH4]+ 308.21210 184.2
[M+K]+ 329.14144 165.9
[M+H-H2O]+ 273.17554 158.4
[M+HCOO]- 335.17648 188.9
[M+CH3COO]- 349.19213 177.8
[M+Na-2H]- 311.15295 169.2
[M]+ 290.17773 163.4
[M]- 290.17883 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.