CID 9567666

2,5-bis(2-adamantyl)-n-[(e)-(4-methoxyphenyl)methyleneamino]-1h-imidazole-4-carboxamide

Structural Information

Molecular Formula
C32H40N4O2
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)C2=C(NC(=N2)C3C4CC5CC(C4)CC3C5)C6C7CC8CC(C7)CC6C8
InChI
InChI=1S/C32H40N4O2/c1-38-26-4-2-17(3-5-26)16-33-36-32(37)30-29(27-22-8-18-6-19(10-22)11-23(27)9-18)34-31(35-30)28-24-12-20-7-21(14-24)15-25(28)13-20/h2-5,16,18-25,27-28H,6-15H2,1H3,(H,34,35)(H,36,37)/b33-16+
InChIKey
SHAARPRJOVEDFK-MHDJOFBISA-N
Compound name
2,5-bis(2-adamantyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

512.3151 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.32238 180.7
[M+Na]+ 535.30432 169.5
[M-H]- 511.30782 172.2
[M+NH4]+ 530.34892 190.8
[M+K]+ 551.27826 164.7
[M+H-H2O]+ 495.31236 165.6
[M+HCOO]- 557.31330 168.9
[M+CH3COO]- 571.32895 178.4
[M+Na-2H]- 533.28977 183.8
[M]+ 512.31455 176.2
[M]- 512.31565 176.2
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.