CID 3047293

63191-89-9

Structural Information

Molecular Formula
C19H20ClNO3
SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H20ClNO3/c1-21-14-6-7-15(21)11-16(10-14)23-19(22)18-9-8-17(24-18)12-2-4-13(20)5-3-12/h2-5,8-9,14-16H,6-7,10-11H2,1H3
InChIKey
JCKYHCGTBXZTSB-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-(4-chlorophenyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.11316 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12044 182.3
[M+Na]+ 368.10238 189.8
[M-H]- 344.10588 190.8
[M+NH4]+ 363.14698 198.9
[M+K]+ 384.07632 185.5
[M+H-H2O]+ 328.11042 175.6
[M+HCOO]- 390.11136 194.6
[M+CH3COO]- 404.12701 193.0
[M+Na-2H]- 366.08783 180.3
[M]+ 345.11261 184.9
[M]- 345.11371 184.9
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.