CID 9567663

2-(2-adamantyl)-n-[(e)-benzylideneamino]-1h-imidazole-4-carboxamide

Structural Information

Molecular Formula
C21H24N4O
SMILES
C1C2CC3CC1CC(C2)C3C4=NC=C(N4)C(=O)N/N=C/C5=CC=CC=C5
InChI
InChI=1S/C21H24N4O/c26-21(25-23-11-13-4-2-1-3-5-13)18-12-22-20(24-18)19-16-7-14-6-15(9-16)10-17(19)8-14/h1-5,11-12,14-17,19H,6-10H2,(H,22,24)(H,25,26)/b23-11+
InChIKey
LFIAEZXRTCZBFV-FOKLQQMPSA-N
Compound name
2-(2-adamantyl)-N-[(E)-benzylideneamino]-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.195 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20228 170.1
[M+Na]+ 371.18422 170.0
[M-H]- 347.18772 168.5
[M+NH4]+ 366.22882 186.2
[M+K]+ 387.15816 164.7
[M+H-H2O]+ 331.19226 160.4
[M+HCOO]- 393.19320 177.5
[M+CH3COO]- 407.20885 176.1
[M+Na-2H]- 369.16967 177.6
[M]+ 348.19445 168.1
[M]- 348.19555 168.1
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.