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]+ 305.20122 174.1
[M+Na]+ 327.18316 180.0
[M-H]- 303.18666 181.0
[M+NH4]+ 322.22776 188.3
[M+K]+ 343.15710 173.1
[M+H-H2O]+ 287.19120 163.2
[M+HCOO]- 349.19214 192.3
[M+CH3COO]- 363.20779 184.0
[M+Na-2H]- 325.16861 177.0
[M]+ 304.19339 171.1
[M]- 304.19449 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.