CID 155943398

4-hydroxybutyl (2s)-2-amino-3-(1h-indol-3-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C15H20N2O3
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)OCCCCO)N
InChI
InChI=1S/C15H20N2O3/c16-13(15(19)20-8-4-3-7-18)9-11-10-17-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,17-18H,3-4,7-9,16H2/t13-/m0/s1
InChIKey
SCSGHCDJIMITPE-ZDUSSCGKSA-N
Compound name
4-hydroxybutyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

276.1474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 164.7
[M+Na]+ 299.136618 170.4
[M-H]- 275.140124 164.5
[M+NH4]+ 294.181223 180.2
[M+K]+ 315.110558 166.2
[M+H-H2O]+ 259.144660 157.5
[M+HCOO]- 321.145601 184.2
[M+CH3COO]- 335.161251 196.0
[M+Na-2H]- 297.122066 166.8
[M]+ 276.14685142 165.3
[M]- 276.14794858 165.3
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

patents stripe