CID 3011563

2,5-dicyclohexyl-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C16H24N2O2
SMILES
C1CCC(CC1)C2=C(N=C(N2)C3CCCCC3)C(=O)O
InChI
InChI=1S/C16H24N2O2/c19-16(20)14-13(11-7-3-1-4-8-11)17-15(18-14)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,17,18)(H,19,20)
InChIKey
GJVKLWOWZFZMLD-UHFFFAOYSA-N
Compound name
2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 168.0
[M+Na]+ 299.172998 169.5
[M-H]- 275.176504 170.6
[M+NH4]+ 294.217603 180.6
[M+K]+ 315.146938 164.9
[M+H-H2O]+ 259.181040 158.8
[M+HCOO]- 321.181981 179.0
[M+CH3COO]- 335.197631 175.6
[M+Na-2H]- 297.158446 165.0
[M]+ 276.18323142 157.0
[M]- 276.18432858 157.0
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.