CID 44593557

1171824-96-6

Structural Information

Molecular Formula
C14H15ClN2O
SMILES
COCC1=C(C=CC2=C1CC[C@H]2C3=NC=CN3)Cl
InChI
InChI=1S/C14H15ClN2O/c1-18-8-12-10-2-3-11(14-16-6-7-17-14)9(10)4-5-13(12)15/h4-7,11H,2-3,8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKey
CMNAOKMSNCWOHS-LLVKDONJSA-N
Compound name
2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

262.08728 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09456 160.3
[M+Na]+ 285.07650 170.2
[M-H]- 261.08000 164.3
[M+NH4]+ 280.12110 179.4
[M+K]+ 301.05044 164.0
[M+H-H2O]+ 245.08454 153.1
[M+HCOO]- 307.08548 176.0
[M+CH3COO]- 321.10113 172.3
[M+Na-2H]- 283.06195 161.5
[M]+ 262.08673 162.1
[M]- 262.08783 162.1
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.