CID 17580936

Indole-3-acetyl-methionine

Structural Information

Molecular Formula
C15H18N2O3S
SMILES
CSCCC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C15H18N2O3S/c1-21-7-6-13(15(19)20)17-14(18)8-10-9-16-12-5-3-2-4-11(10)12/h2-5,9,13,16H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKey
YPMYDSHISNOZST-UHFFFAOYSA-N
Compound name
2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10382 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11110 170.0
[M+Na]+ 329.09304 178.2
[M+NH4]+ 324.13764 175.8
[M+K]+ 345.06698 173.6
[M-H]- 305.09654 169.5
[M+Na-2H]- 327.07849 172.3
[M]+ 306.10327 171.0
[M]- 306.10437 171.0
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.