CID 14541519

Dl-n-((5-bromo-3-indolyl)oxalyl)alanine

Structural Information

Molecular Formula
C13H11BrN2O4
SMILES
CC(C(=O)O)NC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Br
InChI
InChI=1S/C13H11BrN2O4/c1-6(13(19)20)16-12(18)11(17)9-5-15-10-3-2-7(14)4-8(9)10/h2-6,15H,1H3,(H,16,18)(H,19,20)
InChIKey
FHBNSFJTPVQADH-UHFFFAOYSA-N
Compound name
2-[[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

337.99023 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.99751 167.2
[M+Na]+ 360.97945 176.9
[M-H]- 336.98295 170.8
[M+NH4]+ 356.02405 183.8
[M+K]+ 376.95339 165.4
[M+H-H2O]+ 320.98749 166.0
[M+HCOO]- 382.98843 184.0
[M+CH3COO]- 397.00408 203.4
[M+Na-2H]- 358.96490 169.3
[M]+ 337.98968 185.5
[M]- 337.99078 185.5
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.