CID 163723

103286-94-8

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CC(C)(C)C1=CC(=NN=C1)N2C(CN(C2=O)C)O
InChI
InChI=1S/C12H18N4O2/c1-12(2,3)8-5-9(14-13-6-8)16-10(17)7-15(4)11(16)18/h5-6,10,17H,7H2,1-4H3
InChIKey
QYRLDVZHWUYIPJ-UHFFFAOYSA-N
Compound name
3-(5-tert-butylpyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.14297 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15025 161.2
[M+Na]+ 273.13219 170.5
[M-H]- 249.13569 162.1
[M+NH4]+ 268.17679 174.7
[M+K]+ 289.10613 167.1
[M+H-H2O]+ 233.14023 152.9
[M+HCOO]- 295.14117 176.2
[M+CH3COO]- 309.15682 192.9
[M+Na-2H]- 271.11764 162.9
[M]+ 250.14242 160.8
[M]- 250.14352 160.8
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

patents stripe