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]+ 302.222696 175.3
[M+Na]+ 324.204638 177.3
[M-H]- 300.208144 178.2
[M+NH4]+ 319.249243 190.6
[M+K]+ 340.178578 174.7
[M+H-H2O]+ 284.212680 165.8
[M+HCOO]- 346.213621 190.1
[M+CH3COO]- 360.229271 211.0
[M+Na-2H]- 322.190086 175.2
[M]+ 301.21487142 172.7
[M]- 301.21596858 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

literature stripe

Patent stripe

No patent data available for this compound.