CID 3060233

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

Structural Information

Molecular Formula
C22H29N3O
SMILES
CCC(=O)N(CCN1CCCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H29N3O/c1-2-22(26)25(21-12-7-4-8-13-21)17-16-23-14-9-15-24(19-23)18-20-10-5-3-6-11-20/h3-8,10-13H,2,9,14-19H2,1H3
InChIKey
DUQCLNGILLQKGN-UHFFFAOYSA-N
Compound name
N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 188.2
[M+Na]+ 374.22027 189.4
[M-H]- 350.22377 194.1
[M+NH4]+ 369.26487 197.3
[M+K]+ 390.19421 184.9
[M+H-H2O]+ 334.22831 175.9
[M+HCOO]- 396.22925 204.9
[M+CH3COO]- 410.24490 218.8
[M+Na-2H]- 372.20572 189.4
[M]+ 351.23050 184.7
[M]- 351.23160 184.7
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.