CID 3041486

Brn 0430529

Structural Information

Molecular Formula
C18H27N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCC(=C(C2)C)C
InChI
InChI=1S/C18H27N3O/c1-5-18(22)21(17-8-6-7-10-19-17)16(4)13-20-11-9-14(2)15(3)12-20/h6-8,10,16H,5,9,11-13H2,1-4H3
InChIKey
GYPVCJCKRFNSLB-UHFFFAOYSA-N
Compound name
N-[1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 175.6
[M+Na]+ 324.20464 179.4
[M-H]- 300.20814 179.9
[M+NH4]+ 319.24924 188.1
[M+K]+ 340.17858 176.8
[M+H-H2O]+ 284.21268 165.6
[M+HCOO]- 346.21362 193.1
[M+CH3COO]- 360.22927 212.9
[M+Na-2H]- 322.19009 175.7
[M]+ 301.21487 175.0
[M]- 301.21597 175.0
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.