CID 3075082

171261-30-6

Structural Information

Molecular Formula
C21H32N2O
SMILES
CCCCN(C1CC2CCC(C1)N2C)C(=O)C3=CC(=CC(=C3)C)C
InChI
InChI=1S/C21H32N2O/c1-5-6-9-23(20-13-18-7-8-19(14-20)22(18)4)21(24)17-11-15(2)10-16(3)12-17/h10-12,18-20H,5-9,13-14H2,1-4H3
InChIKey
JUCATHYIAFFXBH-UHFFFAOYSA-N
Compound name
N-butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.25146 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.25874 183.5
[M+Na]+ 351.24068 193.6
[M+NH4]+ 346.28528 191.8
[M+K]+ 367.21462 187.8
[M-H]- 327.24418 186.9
[M+Na-2H]- 349.22613 185.9
[M]+ 328.25091 185.7
[M]- 328.25201 185.7
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.