CID 385449

Nsc676687

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CC(=O)OCCOCN1C2=C(CCC2)C(=O)NC1=O
InChI
InChI=1S/C12H16N2O5/c1-8(15)19-6-5-18-7-14-10-4-2-3-9(10)11(16)13-12(14)17/h2-7H2,1H3,(H,13,16,17)
InChIKey
ZBTXBLXGWOFXGV-UHFFFAOYSA-N
Compound name
2-[(2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10593 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 156.5
[M+Na]+ 291.09515 165.2
[M-H]- 267.09865 157.2
[M+NH4]+ 286.13975 172.6
[M+K]+ 307.06909 162.6
[M+H-H2O]+ 251.10319 149.4
[M+HCOO]- 313.10413 175.6
[M+CH3COO]- 327.11978 192.8
[M+Na-2H]- 289.08060 159.2
[M]+ 268.10538 160.3
[M]- 268.10648 160.3
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.