CID 452444

131652-76-1

Structural Information

Molecular Formula
C11H16N4O3
SMILES
CC1=CN(C(=O)NC1=O)CC[C@@H]2COC(=N)N2C
InChI
InChI=1S/C11H16N4O3/c1-7-5-15(11(17)13-9(7)16)4-3-8-6-18-10(12)14(8)2/h5,8,12H,3-4,6H2,1-2H3,(H,13,16,17)/t8-/m1/s1
InChIKey
ZCXFSPSLNQBDBG-MRVPVSSYSA-N
Compound name
1-[2-[(4R)-2-imino-3-methyl-1,3-oxazolidin-4-yl]ethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12224 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 157.3
[M+Na]+ 275.11146 167.1
[M-H]- 251.11496 160.3
[M+NH4]+ 270.15606 170.4
[M+K]+ 291.08540 163.6
[M+H-H2O]+ 235.11950 149.1
[M+HCOO]- 297.12044 176.2
[M+CH3COO]- 311.13609 194.5
[M+Na-2H]- 273.09691 159.1
[M]+ 252.12169 157.0
[M]- 252.12279 157.0
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.