CID 3066305

109920-85-6

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCCNCC(COC1=CC=CC=C1CCCC2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C23H30N2O2/c1-2-14-24-16-20(26)17-27-23-12-4-3-7-19(23)10-5-8-18-9-6-11-22-21(18)13-15-25-22/h3-4,6-7,9,11-13,15,20,24-26H,2,5,8,10,14,16-17H2,1H3
InChIKey
SGHSJTJRLYVDTH-UHFFFAOYSA-N
Compound name
1-[2-[3-(1H-indol-4-yl)propyl]phenoxy]-3-(propylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

366.23074 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 190.5
[M+Na]+ 389.219958 194.8
[M-H]- 365.223464 193.4
[M+NH4]+ 384.264563 202.5
[M+K]+ 405.193898 188.1
[M+H-H2O]+ 349.228000 181.3
[M+HCOO]- 411.228941 209.9
[M+CH3COO]- 425.244591 215.8
[M+Na-2H]- 387.205406 192.4
[M]+ 366.23019142 192.7
[M]- 366.23128858 192.7
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