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 184.8
[M+Na]+ 374.22027 187.6
[M-H]- 350.22377 187.6
[M+NH4]+ 369.26487 196.8
[M+K]+ 390.19421 181.1
[M+H-H2O]+ 334.22831 175.7
[M+HCOO]- 396.22925 204.4
[M+CH3COO]- 410.24490 215.7
[M+Na-2H]- 372.20572 187.5
[M]+ 351.23050 183.7
[M]- 351.23160 183.7
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

No patent data available for this compound.