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 184.0
[M+Na]+ 357.17040 188.7
[M-H]- 333.17390 188.6
[M+NH4]+ 352.21500 201.0
[M+K]+ 373.14434 183.6
[M+H-H2O]+ 317.17844 176.2
[M+HCOO]- 379.17938 196.1
[M+CH3COO]- 393.19503 216.3
[M+Na-2H]- 355.15585 182.4
[M]+ 334.18063 184.8
[M]- 334.18173 184.8
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.