CID 19029

Brn 0761379

Structural Information

Molecular Formula
C23H28N2O
SMILES
COC1=CC2=C(C=C1)NC=C2CC3CCN(CC3)CCC4=CC=CC=C4
InChI
InChI=1S/C23H28N2O/c1-26-21-7-8-23-22(16-21)20(17-24-23)15-19-10-13-25(14-11-19)12-9-18-5-3-2-4-6-18/h2-8,16-17,19,24H,9-15H2,1H3
InChIKey
PYEDEFVEZAVWTQ-UHFFFAOYSA-N
Compound name
5-methoxy-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.22015 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 186.5
[M+Na]+ 371.20937 191.8
[M-H]- 347.21287 192.1
[M+NH4]+ 366.25397 198.5
[M+K]+ 387.18331 184.3
[M+H-H2O]+ 331.21741 175.7
[M+HCOO]- 393.21835 202.7
[M+CH3COO]- 407.23400 195.1
[M+Na-2H]- 369.19482 187.4
[M]+ 348.21960 184.2
[M]- 348.22070 184.2
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

No patent data available for this compound.