CID 3067930

82439-12-1

Structural Information

Molecular Formula
C17H24N2
SMILES
CCCN1CCCC(C1)C2=C3C=CN(C3=CC=C2)C
InChI
InChI=1S/C17H24N2/c1-3-10-19-11-5-6-14(13-19)15-7-4-8-17-16(15)9-12-18(17)2/h4,7-9,12,14H,3,5-6,10-11,13H2,1-2H3
InChIKey
ALPIXNINLYCBEI-UHFFFAOYSA-N
Compound name
1-methyl-4-(1-propylpiperidin-3-yl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.19394 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.20122 162.7
[M+Na]+ 279.18316 170.2
[M-H]- 255.18666 167.2
[M+NH4]+ 274.22776 180.1
[M+K]+ 295.15710 164.9
[M+H-H2O]+ 239.19120 153.8
[M+HCOO]- 301.19214 181.1
[M+CH3COO]- 315.20779 174.0
[M+Na-2H]- 277.16861 165.0
[M]+ 256.19339 161.6
[M]- 256.19449 161.6
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