CID 3055740

1h-indole, 3-(1-pentyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H24N2
SMILES
CCCCCN1CCC(=CC1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H24N2/c1-2-3-6-11-20-12-9-15(10-13-20)17-14-19-18-8-5-4-7-16(17)18/h4-5,7-9,14,19H,2-3,6,10-13H2,1H3
InChIKey
ZHADKQLBDIYIEM-UHFFFAOYSA-N
Compound name
3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

268.19394 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 165.7
[M+Na]+ 291.18316 172.4
[M-H]- 267.18666 168.6
[M+NH4]+ 286.22776 181.6
[M+K]+ 307.15710 165.8
[M+H-H2O]+ 251.19120 156.7
[M+HCOO]- 313.19214 183.7
[M+CH3COO]- 327.20779 176.0
[M+Na-2H]- 289.16861 168.8
[M]+ 268.19339 164.2
[M]- 268.19449 164.2
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

patents stripe