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]+ 341.18596 183.7
[M+Na]+ 363.16790 199.0
[M+NH4]+ 358.21250 190.7
[M+K]+ 379.14184 191.1
[M-H]- 339.17140 188.9
[M+Na-2H]- 361.15335 191.5
[M]+ 340.17813 187.4
[M]- 340.17923 187.4
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.