CID 29684

3-(2-aminoethyl)indol-5-ol p-aminobenzoate dihydrochloride

Structural Information

Molecular Formula
C17H17N3O2
SMILES
C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)NC=C3CCN)N
InChI
InChI=1S/C17H17N3O2/c18-8-7-12-10-20-16-6-5-14(9-15(12)16)22-17(21)11-1-3-13(19)4-2-11/h1-6,9-10,20H,7-8,18-19H2
InChIKey
OIBPHEVIQQAKLT-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1H-indol-5-yl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 168.8
[M+Na]+ 318.12130 180.9
[M+NH4]+ 313.16590 175.9
[M+K]+ 334.09524 176.2
[M-H]- 294.12480 172.7
[M+Na-2H]- 316.10675 175.4
[M]+ 295.13153 171.4
[M]- 295.13263 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.