CID 3062655

1-((2-(1h-indol-3-yl)ethyl)amino)-3-((1-methyl-2-phenylethyl)amino)-2-propanol dihydrochloride

Structural Information

Molecular Formula
C22H29N3O
SMILES
CC(CC1=CC=CC=C1)NCC(CNCCC2=CNC3=CC=CC=C32)O
InChI
InChI=1S/C22H29N3O/c1-17(13-18-7-3-2-4-8-18)24-16-20(26)15-23-12-11-19-14-25-22-10-6-5-9-21(19)22/h2-10,14,17,20,23-26H,11-13,15-16H2,1H3
InChIKey
HTKNSEUTMRDYIF-UHFFFAOYSA-N
Compound name
1-[2-(1H-indol-3-yl)ethylamino]-3-(1-phenylpropan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 188.8
[M+Na]+ 374.22027 199.1
[M+NH4]+ 369.26487 195.7
[M+K]+ 390.19421 193.1
[M-H]- 350.22377 192.8
[M+Na-2H]- 372.20572 195.0
[M]+ 351.23050 191.1
[M]- 351.23160 191.1
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

No patent data available for this compound.