CID 452437

131652-65-8

Structural Information

Molecular Formula
C10H14N4O3
SMILES
CC1=CN(C(=O)NC1=O)CC[C@H](CO)NC#N
InChI
InChI=1S/C10H14N4O3/c1-7-4-14(10(17)13-9(7)16)3-2-8(5-15)12-6-11/h4,8,12,15H,2-3,5H2,1H3,(H,13,16,17)/t8-/m1/s1
InChIKey
PMDLLFOONVYJBC-MRVPVSSYSA-N
Compound name
[(2R)-1-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.1066 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11388 151.3
[M+Na]+ 261.09582 160.2
[M-H]- 237.09932 149.5
[M+NH4]+ 256.14042 163.1
[M+K]+ 277.06976 157.4
[M+H-H2O]+ 221.10386 137.2
[M+HCOO]- 283.10480 167.2
[M+CH3COO]- 297.12045 201.5
[M+Na-2H]- 259.08127 154.4
[M]+ 238.10605 145.9
[M]- 238.10715 145.9
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

No patent data available for this compound.