CID 3011565

2,5-bis(2-adamantyl)-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C24H32N2O2
SMILES
C1C2CC3CC1CC(C2)C3C4=C(N=C(N4)C5C6CC7CC(C6)CC5C7)C(=O)O
InChI
InChI=1S/C24H32N2O2/c27-24(28)22-21(19-15-3-11-1-12(5-15)6-16(19)4-11)25-23(26-22)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H,25,26)(H,27,28)
InChIKey
AMCSJSSDLBPOCR-UHFFFAOYSA-N
Compound name
2,5-bis(2-adamantyl)-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.24637 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.253646 169.4
[M+Na]+ 403.235588 160.8
[M-H]- 379.239094 157.4
[M+NH4]+ 398.280193 184.4
[M+K]+ 419.209528 155.2
[M+H-H2O]+ 363.243630 157.1
[M+HCOO]- 425.244571 154.5
[M+CH3COO]- 439.260221 168.4
[M+Na-2H]- 401.221036 171.2
[M]+ 380.24582142 163.9
[M]- 380.24691858 163.9
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

No patent data available for this compound.