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

3
Patents

276.1474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 164.7
[M+Na]+ 299.13662 170.4
[M-H]- 275.14012 164.5
[M+NH4]+ 294.18122 180.2
[M+K]+ 315.11056 166.2
[M+H-H2O]+ 259.14466 157.5
[M+HCOO]- 321.14560 184.2
[M+CH3COO]- 335.16125 196.0
[M+Na-2H]- 297.12207 166.8
[M]+ 276.14685 165.3
[M]- 276.14795 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