CID 3040471

1h-indole-3-methanamine, n-cyclopentyl-2-(4-methylphenyl)-

Structural Information

Molecular Formula
C21H24N2
SMILES
CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CNC4CCCC4
InChI
InChI=1S/C21H24N2/c1-15-10-12-16(13-11-15)21-19(14-22-17-6-2-3-7-17)18-8-4-5-9-20(18)23-21/h4-5,8-13,17,22-23H,2-3,6-7,14H2,1H3
InChIKey
PSEQPRGUVDLXLS-UHFFFAOYSA-N
Compound name
N-[[2-(4-methylphenyl)-1H-indol-3-yl]methyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.19394 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 172.1
[M+Na]+ 327.18316 178.7
[M-H]- 303.18666 180.4
[M+NH4]+ 322.22776 189.2
[M+K]+ 343.15710 171.4
[M+H-H2O]+ 287.19120 163.7
[M+HCOO]- 349.19214 193.7
[M+CH3COO]- 363.20779 183.0
[M+Na-2H]- 325.16861 173.2
[M]+ 304.19339 169.4
[M]- 304.19449 169.4
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.