CID 91115345

N-methyl-l-valyl-l-tryptophanol

Structural Information

Molecular Formula
C17H25N3O2
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)CO)NC
InChI
InChI=1S/C17H25N3O2/c1-11(2)16(18-3)17(22)20-13(10-21)8-12-9-19-15-7-5-4-6-14(12)15/h4-7,9,11,13,16,18-19,21H,8,10H2,1-3H3,(H,20,22)/t13-,16-/m0/s1
InChIKey
OQYFURUBPANIIX-BBRMVZONSA-N
Compound name
(2S)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methyl-2-(methylamino)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

22
Patents

303.19467 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.201946 174.7
[M+Na]+ 326.183888 178.1
[M-H]- 302.187394 174.9
[M+NH4]+ 321.228493 189.0
[M+K]+ 342.157828 174.6
[M+H-H2O]+ 286.191930 167.2
[M+HCOO]- 348.192871 193.0
[M+CH3COO]- 362.208521 207.5
[M+Na-2H]- 324.169336 174.9
[M]+ 303.19412142 173.7
[M]- 303.19521858 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe