CID 3062657

N-(beta-(3-indolyl)ethyl)-n'-(1-methyl-3-phenyl)propyl-1,3-diamino-2-propanol dihydrochloride

Structural Information

Molecular Formula
C23H31N3O
SMILES
CC(CCC1=CC=CC=C1)NCC(CNCCC2=CNC3=CC=CC=C32)O
InChI
InChI=1S/C23H31N3O/c1-18(11-12-19-7-3-2-4-8-19)25-17-21(27)16-24-14-13-20-15-26-23-10-6-5-9-22(20)23/h2-10,15,18,21,24-27H,11-14,16-17H2,1H3
InChIKey
FGVNAMFGMPNNGM-UHFFFAOYSA-N
Compound name
1-[2-(1H-indol-3-yl)ethylamino]-3-(4-phenylbutan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2467 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.253976 189.2
[M+Na]+ 388.235918 191.5
[M-H]- 364.239424 191.7
[M+NH4]+ 383.280523 200.5
[M+K]+ 404.209858 184.8
[M+H-H2O]+ 348.243960 179.8
[M+HCOO]- 410.244901 208.4
[M+CH3COO]- 424.260551 218.6
[M+Na-2H]- 386.221366 191.4
[M]+ 365.24615142 188.4
[M]- 365.24724858 188.4
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.