CID 91736655

1427325-83-4

Structural Information

Molecular Formula
C22H25NO3
SMILES
COC1=CC=CC=C1CC(=O)C2=CN(C3=CC=CC=C32)CCCCCO
InChI
InChI=1S/C22H25NO3/c1-26-22-12-6-3-9-17(22)15-21(25)19-16-23(13-7-2-8-14-24)20-11-5-4-10-18(19)20/h3-6,9-12,16,24H,2,7-8,13-15H2,1H3
InChIKey
BEAGHVHOGRTTHK-UHFFFAOYSA-N
Compound name
1-[1-(5-hydroxypentyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

351.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.190716 186.5
[M+Na]+ 374.172658 193.7
[M-H]- 350.176164 191.4
[M+NH4]+ 369.217263 200.2
[M+K]+ 390.146598 187.9
[M+H-H2O]+ 334.180700 177.6
[M+HCOO]- 396.181641 206.9
[M+CH3COO]- 410.197291 212.8
[M+Na-2H]- 372.158106 187.7
[M]+ 351.18289142 191.9
[M]- 351.18398858 191.9
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.