CID 3040470

52258-24-9

Structural Information

Molecular Formula
C20H21ClN2
SMILES
C1CCC(C1)NCC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H21ClN2/c21-15-11-9-14(10-12-15)20-18(13-22-16-5-1-2-6-16)17-7-3-4-8-19(17)23-20/h3-4,7-12,16,22-23H,1-2,5-6,13H2
InChIKey
QIOYNDNXAMOPLH-UHFFFAOYSA-N
Compound name
N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1393 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14658 177.3
[M+Na]+ 347.12852 185.2
[M-H]- 323.13202 185.3
[M+NH4]+ 342.17312 194.4
[M+K]+ 363.10246 176.4
[M+H-H2O]+ 307.13656 169.2
[M+HCOO]- 369.13750 194.5
[M+CH3COO]- 383.15315 188.0
[M+Na-2H]- 345.11397 178.1
[M]+ 324.13875 176.5
[M]- 324.13985 176.5
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.