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 168.3
[M+Na]+ 298.18899 171.2
[M-H]- 274.19249 172.0
[M+NH4]+ 293.23359 181.5
[M+K]+ 314.16293 168.8
[M+H-H2O]+ 258.19703 158.2
[M+HCOO]- 320.19797 186.0
[M+CH3COO]- 334.21362 205.2
[M+Na-2H]- 296.17444 170.2
[M]+ 275.19922 165.7
[M]- 275.20032 165.7
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.