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]+ 276.207046 168.3
[M+Na]+ 298.188988 171.2
[M-H]- 274.192494 172.0
[M+NH4]+ 293.233593 181.5
[M+K]+ 314.162928 168.8
[M+H-H2O]+ 258.197030 158.2
[M+HCOO]- 320.197971 186.0
[M+CH3COO]- 334.213621 205.2
[M+Na-2H]- 296.174436 170.2
[M]+ 275.19922142 165.7
[M]- 275.20031858 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.