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 181.7
[M+Na]+ 340.23592 183.2
[M-H]- 316.23942 184.8
[M+NH4]+ 335.28052 193.1
[M+K]+ 356.20986 180.1
[M+H-H2O]+ 300.24396 170.9
[M+HCOO]- 362.24490 198.3
[M+CH3COO]- 376.26055 214.1
[M+Na-2H]- 338.22137 181.9
[M]+ 317.24615 180.1
[M]- 317.24725 180.1
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.