CID 3060231

77869-77-3

Structural Information

Molecular Formula
C19H31N3O
SMILES
CCCCN1CCCN(C1)CCN(C2=CC=CC=C2)C(=O)CC
InChI
InChI=1S/C19H31N3O/c1-3-5-12-20-13-9-14-21(17-20)15-16-22(19(23)4-2)18-10-7-6-8-11-18/h6-8,10-11H,3-5,9,12-17H2,1-2H3
InChIKey
QESGAWIACMEMBM-UHFFFAOYSA-N
Compound name
N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide
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 181.4
[M+Na]+ 340.23592 191.5
[M+NH4]+ 335.28052 188.0
[M+K]+ 356.20986 184.1
[M-H]- 316.23942 184.6
[M+Na-2H]- 338.22137 186.9
[M]+ 317.24615 183.5
[M]- 317.24725 183.5
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.