CID 3041470

54152-70-4

Structural Information

Molecular Formula
C13H21N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN(C)C
InChI
InChI=1S/C13H21N3O/c1-5-13(17)16(11(2)10-15(3)4)12-8-6-7-9-14-12/h6-9,11H,5,10H2,1-4H3
InChIKey
BOZCSBFQHOUTII-UHFFFAOYSA-N
Compound name
N-[1-(dimethylamino)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.16846 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.175736 157.7
[M+Na]+ 258.157678 161.8
[M-H]- 234.161184 162.1
[M+NH4]+ 253.202283 174.6
[M+K]+ 274.131618 162.4
[M+H-H2O]+ 218.165720 149.2
[M+HCOO]- 280.166661 181.1
[M+CH3COO]- 294.182311 205.0
[M+Na-2H]- 256.143126 160.6
[M]+ 235.16791142 160.0
[M]- 235.16900858 160.0
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.