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]+ 305.201216 172.1
[M+Na]+ 327.183158 178.7
[M-H]- 303.186664 180.4
[M+NH4]+ 322.227763 189.2
[M+K]+ 343.157098 171.4
[M+H-H2O]+ 287.191200 163.7
[M+HCOO]- 349.192141 193.7
[M+CH3COO]- 363.207791 183.0
[M+Na-2H]- 325.168606 173.2
[M]+ 304.19339142 169.4
[M]- 304.19448858 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.