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
5
Annotation Hits

62
References

658
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

literature stripe

Patent stripe

patents stripe