CID 52572

Indol-5-ol, 3-(2-aminoethyl)-, phenylcarbamate, hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 166.1
[M+Na]+ 318.121298 173.3
[M-H]- 294.124804 171.2
[M+NH4]+ 313.165903 181.3
[M+K]+ 334.095238 167.8
[M+H-H2O]+ 278.129340 157.7
[M+HCOO]- 340.130281 189.8
[M+CH3COO]- 354.145931 177.1
[M+Na-2H]- 316.106746 171.3
[M]+ 295.13153142 165.8
[M]- 295.13262858 165.8
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.