CID 151419

6493-07-8

Structural Information

Molecular Formula
C11H14N4O4
SMILES
CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)O
InChI
InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKey
WKASGTGXOGALBG-UHFFFAOYSA-N
Compound name
4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

40
Patents

266.1015 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 156.9
[M+Na]+ 289.09072 170.0
[M-H]- 265.09422 156.6
[M+NH4]+ 284.13532 171.1
[M+K]+ 305.06466 166.1
[M+H-H2O]+ 249.09876 149.2
[M+HCOO]- 311.09970 176.2
[M+CH3COO]- 325.11535 196.1
[M+Na-2H]- 287.07617 160.2
[M]+ 266.10095 163.5
[M]- 266.10205 163.5
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.