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

289
Patents

272.1161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 161.8
[M+Na]+ 295.10532 169.0
[M-H]- 271.10882 165.7
[M+NH4]+ 290.14992 178.9
[M+K]+ 311.07926 165.6
[M+H-H2O]+ 255.11336 154.0
[M+HCOO]- 317.11430 181.4
[M+CH3COO]- 331.12995 194.3
[M+Na-2H]- 293.09077 162.9
[M]+ 272.11555 163.1
[M]- 272.11665 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.