CID 3050888

67178-88-5

Structural Information

Molecular Formula
C14H16N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N2CCN3C2=NC=C3
InChI
InChI=1S/C14H16N4O/c1-10-4-3-5-11(2)12(10)16-14(19)18-9-8-17-7-6-15-13(17)18/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKey
HQJIZRXBRCVKHO-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.13242 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.139696 159.5
[M+Na]+ 279.121638 168.2
[M-H]- 255.125144 164.1
[M+NH4]+ 274.166243 177.0
[M+K]+ 295.095578 164.4
[M+H-H2O]+ 239.129680 150.8
[M+HCOO]- 301.130621 180.4
[M+CH3COO]- 315.146271 171.4
[M+Na-2H]- 277.107086 161.2
[M]+ 256.13187142 159.6
[M]- 256.13296858 159.6
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.