CID 3088244

Methionine, n-(3-indolyloxalyl)-

Structural Information

Molecular Formula
C15H16N2O4S
SMILES
CSCC[C@@H](C(=O)O)NC(=O)C(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C15H16N2O4S/c1-22-7-6-12(15(20)21)17-14(19)13(18)10-8-16-11-5-3-2-4-9(10)11/h2-5,8,12,16H,6-7H2,1H3,(H,17,19)(H,20,21)/t12-/m0/s1
InChIKey
QBGWRPKEBUSHPW-LBPRGKRZSA-N
Compound name
(2S)-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.08307 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09035 173.1
[M+Na]+ 343.07229 178.5
[M-H]- 319.07579 173.5
[M+NH4]+ 338.11689 187.2
[M+K]+ 359.04623 174.5
[M+H-H2O]+ 303.08033 166.6
[M+HCOO]- 365.08127 186.5
[M+CH3COO]- 379.09692 202.7
[M+Na-2H]- 341.05774 172.1
[M]+ 320.08252 176.0
[M]- 320.08362 176.0
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.