CID 11666181

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

Structural Information

Molecular Formula
C16H16N2O2
SMILES
C1C(CN(C(=O)N1C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H16N2O2/c19-15-11-17(13-7-3-1-4-8-13)16(20)18(12-15)14-9-5-2-6-10-14/h1-10,15,19H,11-12H2
InChIKey
ZMIZYHBMUKTDNX-UHFFFAOYSA-N
Compound name
5-hydroxy-1,3-diphenyl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.1212 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.128476 162.5
[M+Na]+ 291.110418 168.9
[M-H]- 267.113924 167.7
[M+NH4]+ 286.155023 174.8
[M+K]+ 307.084358 163.7
[M+H-H2O]+ 251.118460 152.4
[M+HCOO]- 313.119401 179.5
[M+CH3COO]- 327.135051 172.7
[M+Na-2H]- 289.095866 166.3
[M]+ 268.12065142 157.7
[M]- 268.12174858 157.7
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.