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]+ 242.113536 151.4
[M+Na]+ 264.095478 159.6
[M-H]- 240.098984 150.1
[M+NH4]+ 259.140083 164.8
[M+K]+ 280.069418 156.2
[M+H-H2O]+ 224.103520 143.9
[M+HCOO]- 286.104461 171.3
[M+CH3COO]- 300.120111 190.2
[M+Na-2H]- 262.080926 155.1
[M]+ 241.10571142 152.3
[M]- 241.10680858 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.