CID 3060227

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

Structural Information

Molecular Formula
C17H27N3O
SMILES
CCC(=O)N(CCN1CCCN(C1)CC)C2=CC=CC=C2
InChI
InChI=1S/C17H27N3O/c1-3-17(21)20(16-9-6-5-7-10-16)14-13-19-12-8-11-18(4-2)15-19/h5-7,9-10H,3-4,8,11-15H2,1-2H3
InChIKey
QQGBQMBUTFATCF-UHFFFAOYSA-N
Compound name
N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.21542 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22270 172.5
[M+Na]+ 312.20464 183.1
[M+NH4]+ 307.24924 179.6
[M+K]+ 328.17858 176.1
[M-H]- 288.20814 175.9
[M+Na-2H]- 310.19009 178.7
[M]+ 289.21487 174.7
[M]- 289.21597 174.7
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.