CID 10384207

Ns00116522

Structural Information

Molecular Formula
C19H25ClN2O3
SMILES
CC1(C(C2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)O)C
InChI
InChI=1S/C19H25ClN2O3/c1-19(2)17(23)14-6-10(20)7-15(16(14)25-19)18(24)21-11-8-12-4-5-13(9-11)22(12)3/h6-7,11-13,17,23H,4-5,8-9H2,1-3H3,(H,21,24)
InChIKey
NBWGHXIOQAPXMZ-UHFFFAOYSA-N
Compound name
5-chloro-3-hydroxy-2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

364.15536 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.162636 187.6
[M+Na]+ 387.144578 195.5
[M-H]- 363.148084 192.6
[M+NH4]+ 382.189183 206.2
[M+K]+ 403.118518 190.5
[M+H-H2O]+ 347.152620 182.9
[M+HCOO]- 409.153561 196.2
[M+CH3COO]- 423.169211 197.3
[M+Na-2H]- 385.130026 185.9
[M]+ 364.15481142 188.8
[M]- 364.15590858 188.8
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.