CID 212623

Brn 0489516

Structural Information

Molecular Formula
C18H27N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CC3CCC(C3)C2
InChI
InChI=1S/C18H27N3O/c1-3-18(22)21(17-6-4-5-9-19-17)14(2)11-20-12-15-7-8-16(10-15)13-20/h4-6,9,14-16H,3,7-8,10-13H2,1-2H3
InChIKey
PJXVUUMYPZBUGK-UHFFFAOYSA-N
Compound name
N-[1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.21542 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 175.3
[M+Na]+ 324.20464 177.3
[M-H]- 300.20814 178.2
[M+NH4]+ 319.24924 190.6
[M+K]+ 340.17858 174.7
[M+H-H2O]+ 284.21268 165.8
[M+HCOO]- 346.21362 190.1
[M+CH3COO]- 360.22927 211.0
[M+Na-2H]- 322.19009 175.2
[M]+ 301.21487 172.7
[M]- 301.21597 172.7
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.