CID 14838375

Schembl8940025

Structural Information

Molecular Formula
C18H23ClN2O2
SMILES
CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4)C
InChI
InChI=1S/C18H23ClN2O2/c1-18(2)9-10-5-11(19)6-15(16(10)23-18)17(22)21-14-7-12-3-4-13(8-14)20-12/h5-6,12-14,20H,3-4,7-9H2,1-2H3,(H,21,22)
InChIKey
QMOMUISEPCMZDH-UHFFFAOYSA-N
Compound name
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

334.1448 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15208 180.4
[M+Na]+ 357.13402 187.2
[M-H]- 333.13752 184.8
[M+NH4]+ 352.17862 199.6
[M+K]+ 373.10796 181.6
[M+H-H2O]+ 317.14206 175.0
[M+HCOO]- 379.14300 189.2
[M+CH3COO]- 393.15865 189.9
[M+Na-2H]- 355.11947 180.0
[M]+ 334.14425 178.9
[M]- 334.14535 178.9
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.