CID 452439

131652-67-0

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC1=CN(C(=O)NC1=O)CC[C@H](CO)NC=O
InChI
InChI=1S/C10H15N3O4/c1-7-4-13(10(17)12-9(7)16)3-2-8(5-14)11-6-15/h4,6,8,14H,2-3,5H2,1H3,(H,11,15)(H,12,16,17)/t8-/m1/s1
InChIKey
JYDFVCJJXPGWKB-MRVPVSSYSA-N
Compound name
N-[(2R)-1-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10626 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 151.4
[M+Na]+ 264.09548 159.6
[M-H]- 240.09898 150.1
[M+NH4]+ 259.14008 164.8
[M+K]+ 280.06942 156.2
[M+H-H2O]+ 224.10352 143.9
[M+HCOO]- 286.10446 171.3
[M+CH3COO]- 300.12011 190.2
[M+Na-2H]- 262.08093 155.1
[M]+ 241.10571 152.3
[M]- 241.10681 152.3
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.