CID 24847656

Dl-n-(3-indolyloxalyl)valine

Structural Information

Molecular Formula
C15H16N2O4
SMILES
CC(C)C(C(=O)O)NC(=O)C(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C15H16N2O4/c1-8(2)12(15(20)21)17-14(19)13(18)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,17,19)(H,20,21)
InChIKey
ZNPRCYONGRYBAZ-UHFFFAOYSA-N
Compound name
2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.111 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.118276 165.7
[M+Na]+ 311.100218 170.9
[M-H]- 287.103724 166.4
[M+NH4]+ 306.144823 180.5
[M+K]+ 327.074158 168.3
[M+H-H2O]+ 271.108260 159.0
[M+HCOO]- 333.109201 183.4
[M+CH3COO]- 347.124851 200.1
[M+Na-2H]- 309.085666 165.5
[M]+ 288.11045142 165.5
[M]- 288.11154858 165.5
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

No patent data available for this compound.