CID 2795649

Mls000833546

Structural Information

Molecular Formula
C21H26N2O3
SMILES
COC1=C(C=C(C=C1)CCNCC(CN2C=CC3=CC=CC=C32)O)OC
InChI
InChI=1S/C21H26N2O3/c1-25-20-8-7-16(13-21(20)26-2)9-11-22-14-18(24)15-23-12-10-17-5-3-4-6-19(17)23/h3-8,10,12-13,18,22,24H,9,11,14-15H2,1-2H3
InChIKey
KEPPTXNYKXAWSR-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-indol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

354.19434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.201616 185.4
[M+Na]+ 377.183558 191.8
[M-H]- 353.187064 190.4
[M+NH4]+ 372.228163 198.8
[M+K]+ 393.157498 187.0
[M+H-H2O]+ 337.191600 176.3
[M+HCOO]- 399.192541 207.1
[M+CH3COO]- 413.208191 215.6
[M+Na-2H]- 375.169006 188.0
[M]+ 354.19379142 190.6
[M]- 354.19488858 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.