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

3
Patents

380.21 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 193.2
[M+Na]+ 403.19922 197.2
[M-H]- 379.20272 196.2
[M+NH4]+ 398.24382 204.3
[M+K]+ 419.17316 191.2
[M+H-H2O]+ 363.20726 184.1
[M+HCOO]- 425.20820 211.9
[M+CH3COO]- 439.22385 218.1
[M+Na-2H]- 401.18467 194.0
[M]+ 380.20945 195.5
[M]- 380.21055 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