CID 9567662

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

Structural Information

Molecular Formula
C18H26N4O
SMILES
CC(C)/C=N/NC(=O)C1=CN=C(N1)C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C18H26N4O/c1-10(2)8-20-22-18(23)15-9-19-17(21-15)16-13-4-11-3-12(6-13)7-14(16)5-11/h8-14,16H,3-7H2,1-2H3,(H,19,21)(H,22,23)/b20-8+
InChIKey
KVVBNIKAOZCRMQ-DNTJNYDQSA-N
Compound name
2-(2-adamantyl)-N-[(E)-2-methylpropylideneamino]-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.21066 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.21794 170.9
[M+Na]+ 337.19988 170.7
[M-H]- 313.20338 166.2
[M+NH4]+ 332.24448 189.0
[M+K]+ 353.17382 167.0
[M+H-H2O]+ 297.20792 163.1
[M+HCOO]- 359.20886 176.8
[M+CH3COO]- 373.22451 176.9
[M+Na-2H]- 335.18533 176.2
[M]+ 314.21011 169.8
[M]- 314.21121 169.8
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

No patent data available for this compound.