CID 65892

Camonagrel

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1CC2=C(C1C(=O)O)C=CC(=C2)OCCN3C=CN=C3
InChI
InChI=1S/C15H16N2O3/c18-15(19)14-3-1-11-9-12(2-4-13(11)14)20-8-7-17-6-5-16-10-17/h2,4-6,9-10,14H,1,3,7-8H2,(H,18,19)
InChIKey
IRWWXLHSNMVHNY-UHFFFAOYSA-N
Compound name
5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

295
Patents

272.1161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 161.8
[M+Na]+ 295.105318 169.0
[M-H]- 271.108824 165.7
[M+NH4]+ 290.149923 178.9
[M+K]+ 311.079258 165.6
[M+H-H2O]+ 255.113360 154.0
[M+HCOO]- 317.114301 181.4
[M+CH3COO]- 331.129951 194.3
[M+Na-2H]- 293.090766 162.9
[M]+ 272.11555142 163.1
[M]- 272.11664858 163.1
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.