CID 510391

L-alanyl-2-(5-fluorouracil-1-yl)-l-glycine

Structural Information

Molecular Formula
C9H11FN4O5
SMILES
C[C@@H](C(=O)N[C@H](C(=O)O)N1C=C(C(=O)NC1=O)F)N
InChI
InChI=1S/C9H11FN4O5/c1-3(11)6(15)12-5(8(17)18)14-2-4(10)7(16)13-9(14)19/h2-3,5H,11H2,1H3,(H,12,15)(H,17,18)(H,13,16,19)/t3-,5-/m0/s1
InChIKey
KIKHXLDDKLVSNQ-UCORVYFPSA-N
Compound name
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

274.07135 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07863 154.8
[M+Na]+ 297.06057 162.0
[M-H]- 273.06407 152.3
[M+NH4]+ 292.10517 165.9
[M+K]+ 313.03451 160.0
[M+H-H2O]+ 257.06861 146.5
[M+HCOO]- 319.06955 171.9
[M+CH3COO]- 333.08520 198.9
[M+Na-2H]- 295.04602 154.4
[M]+ 274.07080 151.3
[M]- 274.07190 151.3
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.