CID 2817316

1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyltetrahydropyrimidin-2(1h)-one

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CC1(CC(N(C(=O)N1C)C2=CC=C(C=C2)Cl)(C)O)C
InChI
InChI=1S/C14H19ClN2O2/c1-13(2)9-14(3,19)17(12(18)16(13)4)11-7-5-10(15)6-8-11/h5-8,19H,9H2,1-4H3
InChIKey
SSHPBKHRMZJGAB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

282.1135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.120776 159.3
[M+Na]+ 305.102718 170.0
[M-H]- 281.106224 162.8
[M+NH4]+ 300.147323 177.6
[M+K]+ 321.076658 165.3
[M+H-H2O]+ 265.110760 153.4
[M+HCOO]- 327.111701 171.5
[M+CH3COO]- 341.127351 198.0
[M+Na-2H]- 303.088166 162.8
[M]+ 282.11295142 160.3
[M]- 282.11404858 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.