CID 3041490

Brn 0418127

Structural Information

Molecular Formula
C19H31N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCCC2(C)C
InChI
InChI=1S/C19H31N3O/c1-5-18(23)22(17-11-7-9-13-20-17)16(2)15-21-14-10-6-8-12-19(21,3)4/h7,9,11,13,16H,5-6,8,10,12,14-15H2,1-4H3
InChIKey
QMICATGVVZZVQV-UHFFFAOYSA-N
Compound name
N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.2467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.25398 175.5
[M+Na]+ 340.23592 176.8
[M-H]- 316.23942 180.4
[M+NH4]+ 335.28052 188.1
[M+K]+ 356.20986 179.1
[M+H-H2O]+ 300.24396 165.7
[M+HCOO]- 362.24490 190.9
[M+CH3COO]- 376.26055 214.3
[M+Na-2H]- 338.22137 175.9
[M]+ 317.24615 170.8
[M]- 317.24725 170.8
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.