CID 19032

Brn 0623207

Structural Information

Molecular Formula
C23H28N2
SMILES
CN1C=C(C2=CC=CC=C21)CC3CCN(CC3)CCC4=CC=CC=C4
InChI
InChI=1S/C23H28N2/c1-24-18-21(22-9-5-6-10-23(22)24)17-20-12-15-25(16-13-20)14-11-19-7-3-2-4-8-19/h2-10,18,20H,11-17H2,1H3
InChIKey
VEFANWMQOAZFSF-UHFFFAOYSA-N
Compound name
1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.22525 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23253 183.7
[M+Na]+ 355.21447 189.6
[M-H]- 331.21797 190.6
[M+NH4]+ 350.25907 197.1
[M+K]+ 371.18841 182.2
[M+H-H2O]+ 315.22251 172.6
[M+HCOO]- 377.22345 201.2
[M+CH3COO]- 391.23910 193.1
[M+Na-2H]- 353.19992 184.7
[M]+ 332.22470 181.7
[M]- 332.22580 181.7
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.