CID 4252598

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

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC1=CC(=C(C=C1)O)N2CCCN(C2=O)C3=C(C=CC(=C3)C)O
InChI
InChI=1S/C18H20N2O3/c1-12-4-6-16(21)14(10-12)19-8-3-9-20(18(19)23)15-11-13(2)5-7-17(15)22/h4-7,10-11,21-22H,3,8-9H2,1-2H3
InChIKey
UPPCLVXITUOVRA-UHFFFAOYSA-N
Compound name
1,3-bis(2-hydroxy-5-methylphenyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 176.0
[M+Na]+ 335.13662 190.6
[M+NH4]+ 330.18122 182.6
[M+K]+ 351.11056 183.8
[M-H]- 311.14012 180.2
[M+Na-2H]- 333.12207 183.0
[M]+ 312.14685 179.2
[M]- 312.14795 179.2
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.