CID 3041494

54153-03-6

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]+ 302.222696 177.5
[M+Na]+ 324.204638 184.8
[M-H]- 300.208144 183.7
[M+NH4]+ 319.249243 191.9
[M+K]+ 340.178578 182.5
[M+H-H2O]+ 284.212680 170.5
[M+HCOO]- 346.213621 195.3
[M+CH3COO]- 360.229271 212.6
[M+Na-2H]- 322.190086 179.4
[M]+ 301.21487142 181.8
[M]- 301.21596858 181.8
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.