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

literature stripe

Patent stripe

patents stripe