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]+ 296.13936 166.1
[M+Na]+ 318.12130 173.3
[M-H]- 294.12480 171.2
[M+NH4]+ 313.16590 181.3
[M+K]+ 334.09524 167.8
[M+H-H2O]+ 278.12934 157.7
[M+HCOO]- 340.13028 189.8
[M+CH3COO]- 354.14593 177.1
[M+Na-2H]- 316.10675 171.3
[M]+ 295.13153 165.8
[M]- 295.13263 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.