CID 389314

Nsc685192

Structural Information

Molecular Formula
C10H16N4O5
SMILES
CC1=CN(C(=O)NC1=O)C(C)OCCN(C(=O)N)O
InChI
InChI=1S/C10H16N4O5/c1-6-5-13(10(17)12-8(6)15)7(2)19-4-3-14(18)9(11)16/h5,7,18H,3-4H2,1-2H3,(H2,11,16)(H,12,15,17)
InChIKey
KGJFGHXSYREYMA-UHFFFAOYSA-N
Compound name
1-hydroxy-1-[2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.11206 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11934 157.8
[M+Na]+ 295.10128 164.9
[M-H]- 271.10478 157.7
[M+NH4]+ 290.14588 169.9
[M+K]+ 311.07522 163.9
[M+H-H2O]+ 255.10932 149.7
[M+HCOO]- 317.11026 177.9
[M+CH3COO]- 331.12591 201.1
[M+Na-2H]- 293.08673 159.1
[M]+ 272.11151 158.9
[M]- 272.11261 158.9
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

patents stripe