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]+ 289.11828 165.7
[M+Na]+ 311.10022 170.9
[M-H]- 287.10372 166.4
[M+NH4]+ 306.14482 180.5
[M+K]+ 327.07416 168.3
[M+H-H2O]+ 271.10826 159.0
[M+HCOO]- 333.10920 183.4
[M+CH3COO]- 347.12485 200.1
[M+Na-2H]- 309.08567 165.5
[M]+ 288.11045 165.5
[M]- 288.11155 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.