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]+ 269.12848 162.5
[M+Na]+ 291.11042 168.9
[M-H]- 267.11392 167.7
[M+NH4]+ 286.15502 174.8
[M+K]+ 307.08436 163.7
[M+H-H2O]+ 251.11846 152.4
[M+HCOO]- 313.11940 179.5
[M+CH3COO]- 327.13505 172.7
[M+Na-2H]- 289.09587 166.3
[M]+ 268.12065 157.7
[M]- 268.12175 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.