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

6
Patents

268.19394 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 165.7
[M+Na]+ 291.183158 172.4
[M-H]- 267.186664 168.6
[M+NH4]+ 286.227763 181.6
[M+K]+ 307.157098 165.8
[M+H-H2O]+ 251.191200 156.7
[M+HCOO]- 313.192141 183.7
[M+CH3COO]- 327.207791 176.0
[M+Na-2H]- 289.168606 168.8
[M]+ 268.19339142 164.2
[M]- 268.19448858 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