CID 371477

Nsc645751

Structural Information

Molecular Formula
C10H12N4O5
SMILES
CC(=O)NC1=C(C(=O)NC(=O)N1)N(C(=O)C)C(=O)C
InChI
InChI=1S/C10H12N4O5/c1-4(15)11-8-7(9(18)13-10(19)12-8)14(5(2)16)6(3)17/h1-3H3,(H3,11,12,13,15,18,19)
InChIKey
AJMQCASXYFTULT-UHFFFAOYSA-N
Compound name
N-[5-(diacetylamino)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08078 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 155.0
[M+Na]+ 291.07000 162.7
[M-H]- 267.07350 155.8
[M+NH4]+ 286.11460 167.5
[M+K]+ 307.04394 161.4
[M+H-H2O]+ 251.07804 147.5
[M+HCOO]- 313.07898 175.3
[M+CH3COO]- 327.09463 199.7
[M+Na-2H]- 289.05545 156.4
[M]+ 268.08023 155.1
[M]- 268.08133 155.1
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.