CID 9567664

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

Structural Information

Molecular Formula
C22H26N4O2
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)C2=CN=C(N2)C3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C22H26N4O2/c1-28-18-4-2-13(3-5-18)11-24-26-22(27)19-12-23-21(25-19)20-16-7-14-6-15(9-16)10-17(20)8-14/h2-5,11-12,14-17,20H,6-10H2,1H3,(H,23,25)(H,26,27)/b24-11+
InChIKey
ICQCZXWRQNMIJQ-BHGWPJFGSA-N
Compound name
2-(2-adamantyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.20557 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 178.9
[M+Na]+ 401.19479 178.9
[M-H]- 377.19829 177.4
[M+NH4]+ 396.23939 193.9
[M+K]+ 417.16873 174.3
[M+H-H2O]+ 361.20283 169.2
[M+HCOO]- 423.20377 185.9
[M+CH3COO]- 437.21942 184.6
[M+Na-2H]- 399.18024 185.4
[M]+ 378.20502 178.9
[M]- 378.20612 179.0
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.