CID 3066312

109947-21-9

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CCCNCC(COC1=CC=CC=C1C(=O)CCC2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C23H28N2O3/c1-2-13-24-15-18(26)16-28-23-9-4-3-7-20(23)22(27)11-10-17-6-5-8-21-19(17)12-14-25-21/h3-9,12,14,18,24-26H,2,10-11,13,15-16H2,1H3
InChIKey
FBQJCILGHSOCJW-UHFFFAOYSA-N
Compound name
1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

380.21 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.217276 193.2
[M+Na]+ 403.199218 197.2
[M-H]- 379.202724 196.2
[M+NH4]+ 398.243823 204.3
[M+K]+ 419.173158 191.2
[M+H-H2O]+ 363.207260 184.1
[M+HCOO]- 425.208201 211.9
[M+CH3COO]- 439.223851 218.1
[M+Na-2H]- 401.184666 194.0
[M]+ 380.20945142 195.5
[M]- 380.21054858 195.5
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

patents stripe