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]+ 366.25398 189.2
[M+Na]+ 388.23592 191.5
[M-H]- 364.23942 191.7
[M+NH4]+ 383.28052 200.5
[M+K]+ 404.20986 184.8
[M+H-H2O]+ 348.24396 179.8
[M+HCOO]- 410.24490 208.4
[M+CH3COO]- 424.26055 218.6
[M+Na-2H]- 386.22137 191.4
[M]+ 365.24615 188.4
[M]- 365.24725 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.