CID 122282

Mebicar

Structural Information

Molecular Formula
C8H14N4O2
SMILES
CN1C2C(N(C1=O)C)N(C(=O)N2C)C
InChI
InChI=1S/C8H14N4O2/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2/h5-6H,1-4H3
InChIKey
XIUUSFJTJXFNGH-UHFFFAOYSA-N
Compound name
1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

62
References

613
Patents

198.11168 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11896 145.4
[M+Na]+ 221.10090 157.3
[M-H]- 197.10440 145.8
[M+NH4]+ 216.14550 165.1
[M+K]+ 237.07484 155.4
[M+H-H2O]+ 181.10894 139.1
[M+HCOO]- 243.10988 162.7
[M+CH3COO]- 257.12553 188.0
[M+Na-2H]- 219.08635 144.4
[M]+ 198.11113 146.8
[M]- 198.11223 146.8
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

No patent data available for this compound.