CID 3075078

171261-28-2

Structural Information

Molecular Formula
C19H27ClN2O
SMILES
CCCCN(C1CC2CCC(C1)N2C)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H27ClN2O/c1-3-4-11-22(19(23)14-5-7-15(20)8-6-14)18-12-16-9-10-17(13-18)21(16)2/h5-8,16-18H,3-4,9-13H2,1-2H3
InChIKey
OXVQORLPGKNNFZ-UHFFFAOYSA-N
Compound name
N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

334.18118 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18846 180.2
[M+Na]+ 357.17040 191.1
[M+NH4]+ 352.21500 189.0
[M+K]+ 373.14434 184.7
[M-H]- 333.17390 183.6
[M+Na-2H]- 355.15585 183.5
[M]+ 334.18063 182.8
[M]- 334.18173 182.8
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.