CID 452438

131652-40-9

Structural Information

Molecular Formula
C10H14N4O3
SMILES
CC1=CN(C(=O)NC1=O)CC[C@@H]2COC(=N2)N
InChI
InChI=1S/C10H14N4O3/c1-6-4-14(10(16)13-8(6)15)3-2-7-5-17-9(11)12-7/h4,7H,2-3,5H2,1H3,(H2,11,12)(H,13,15,16)/t7-/m1/s1
InChIKey
UJFALHQXSDHWQH-SSDOTTSWSA-N
Compound name
1-[2-[(4R)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.1066 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11388 152.2
[M+Na]+ 261.09582 162.3
[M-H]- 237.09932 154.9
[M+NH4]+ 256.14042 165.5
[M+K]+ 277.06976 159.1
[M+H-H2O]+ 221.10386 143.8
[M+HCOO]- 283.10480 172.2
[M+CH3COO]- 297.12045 190.0
[M+Na-2H]- 259.08127 155.3
[M]+ 238.10605 152.3
[M]- 238.10715 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.