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]+ 349.227426 186.5
[M+Na]+ 371.209368 191.8
[M-H]- 347.212874 192.1
[M+NH4]+ 366.253973 198.5
[M+K]+ 387.183308 184.3
[M+H-H2O]+ 331.217410 175.7
[M+HCOO]- 393.218351 202.7
[M+CH3COO]- 407.234001 195.1
[M+Na-2H]- 369.194816 187.4
[M]+ 348.21960142 184.2
[M]- 348.22069858 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.