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]+ 302.222696 175.6
[M+Na]+ 324.204638 179.4
[M-H]- 300.208144 179.9
[M+NH4]+ 319.249243 188.1
[M+K]+ 340.178578 176.8
[M+H-H2O]+ 284.212680 165.6
[M+HCOO]- 346.213621 193.1
[M+CH3COO]- 360.229271 212.9
[M+Na-2H]- 322.190086 175.7
[M]+ 301.21487142 175.0
[M]- 301.21596858 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.