CID 60423

110331-76-5

Structural Information

Molecular Formula
C21H24N2
SMILES
C1CCN(CC1)CCC2=CN(C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H24N2/c1-3-9-19(10-4-1)23-17-18(20-11-5-6-12-21(20)23)13-16-22-14-7-2-8-15-22/h1,3-6,9-12,17H,2,7-8,13-16H2
InChIKey
MJVHQIOXYTTYSU-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2-piperidin-1-ylethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.19394 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.201216 174.1
[M+Na]+ 327.183158 180.0
[M-H]- 303.186664 181.0
[M+NH4]+ 322.227763 188.3
[M+K]+ 343.157098 173.1
[M+H-H2O]+ 287.191200 163.2
[M+HCOO]- 349.192141 192.3
[M+CH3COO]- 363.207791 184.0
[M+Na-2H]- 325.168606 177.0
[M]+ 304.19339142 171.1
[M]- 304.19448858 171.1
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.