CID 452435

(4-oh-3-ureido-bu)thymine

Structural Information

Molecular Formula
C10H16N4O4
SMILES
CC1=CN(C(=O)NC1=O)CC[C@H](CO)NC(=O)N
InChI
InChI=1S/C10H16N4O4/c1-6-4-14(10(18)13-8(6)16)3-2-7(5-15)12-9(11)17/h4,7,15H,2-3,5H2,1H3,(H3,11,12,17)(H,13,16,18)/t7-/m1/s1
InChIKey
MFSQMUVQSSBQBP-SSDOTTSWSA-N
Compound name
[(2R)-1-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.11716 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12444 156.2
[M+Na]+ 279.10638 163.4
[M-H]- 255.10988 154.7
[M+NH4]+ 274.15098 168.4
[M+K]+ 295.08032 160.3
[M+H-H2O]+ 239.11442 148.5
[M+HCOO]- 301.11536 175.6
[M+CH3COO]- 315.13101 195.5
[M+Na-2H]- 277.09183 158.0
[M]+ 256.11661 154.6
[M]- 256.11771 154.6
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.