CID 3075071

171261-23-7

Structural Information

Molecular Formula
C21H30N2O
SMILES
CCCCN(C1=CC2CCC(C1)N2C)C(=O)C3=CC(=CC(=C3)C)C
InChI
InChI=1S/C21H30N2O/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/h10-13,18-19H,5-9,14H2,1-4H3
InChIKey
GNYZYYFKNNJUQR-UHFFFAOYSA-N
Compound name
N-butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 183.9
[M+Na]+ 349.22502 188.8
[M-H]- 325.22852 189.2
[M+NH4]+ 344.26962 200.7
[M+K]+ 365.19896 184.9
[M+H-H2O]+ 309.23306 175.6
[M+HCOO]- 371.23400 201.4
[M+CH3COO]- 385.24965 219.5
[M+Na-2H]- 347.21047 182.2
[M]+ 326.23525 185.1
[M]- 326.23635 185.1
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.