CID 3041494

Brn 0418123

Structural Information

Molecular Formula
C18H27N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CC3(CC3(C2)C)C
InChI
InChI=1S/C18H27N3O/c1-5-16(22)21(15-8-6-7-9-19-15)14(2)10-20-12-17(3)11-18(17,4)13-20/h6-9,14H,5,10-13H2,1-4H3
InChIKey
OIPGQZLALVPIHJ-UHFFFAOYSA-N
Compound name
N-[1-(1,5-dimethyl-3-azabicyclo[3.1.0]hexan-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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 174.5
[M+Na]+ 324.20464 185.7
[M+NH4]+ 319.24924 185.1
[M+K]+ 340.17858 179.4
[M-H]- 300.20814 184.0
[M+Na-2H]- 322.19009 184.0
[M]+ 301.21487 180.1
[M]- 301.21597 180.1
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.