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

2
Patents

366.23074 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 190.5
[M+Na]+ 389.21996 194.8
[M-H]- 365.22346 193.4
[M+NH4]+ 384.26456 202.5
[M+K]+ 405.19390 188.1
[M+H-H2O]+ 349.22800 181.3
[M+HCOO]- 411.22894 209.9
[M+CH3COO]- 425.24459 215.8
[M+Na-2H]- 387.20541 192.4
[M]+ 366.23019 192.7
[M]- 366.23129 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