CID 3060225

Propanamide, n-phenyl-n-(2-(tetrahydro-3-methyl-1(2h)-pyrimidinyl)ethyl)-, ethanedioate, hydrate (2:4:1)

Structural Information

Molecular Formula
C16H25N3O
SMILES
CCC(=O)N(CCN1CCCN(C1)C)C2=CC=CC=C2
InChI
InChI=1S/C16H25N3O/c1-3-16(20)19(15-8-5-4-6-9-15)13-12-18-11-7-10-17(2)14-18/h4-6,8-9H,3,7,10-14H2,1-2H3
InChIKey
XLDJTOZWACLTSK-UHFFFAOYSA-N
Compound name
N-[2-(3-methyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.19977 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.20705 168.1
[M+Na]+ 298.18899 178.9
[M+NH4]+ 293.23359 175.3
[M+K]+ 314.16293 172.2
[M-H]- 274.19249 171.5
[M+Na-2H]- 296.17444 174.5
[M]+ 275.19922 170.4
[M]- 275.20032 170.4
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.