CID 680447

1,3-bis(2-methoxy-5-methylphenyl)tetrahydro-2(1h)-pyrimidinone

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CC1=CC(=C(C=C1)OC)N2CCCN(C2=O)C3=C(C=CC(=C3)C)OC
InChI
InChI=1S/C20H24N2O3/c1-14-6-8-18(24-3)16(12-14)21-10-5-11-22(20(21)23)17-13-15(2)7-9-19(17)25-4/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey
BHFLLKKPCKQLOU-UHFFFAOYSA-N
Compound name
1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.185956 183.5
[M+Na]+ 363.167898 191.1
[M-H]- 339.171404 190.5
[M+NH4]+ 358.212503 194.3
[M+K]+ 379.141838 186.7
[M+H-H2O]+ 323.175940 172.6
[M+HCOO]- 385.176881 200.7
[M+CH3COO]- 399.192531 214.8
[M+Na-2H]- 361.153346 183.3
[M]+ 340.17813142 184.4
[M]- 340.17922858 184.4
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.