CID 3087472

114703-63-8

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC(=O)N1CC(CN=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2O/c1-10(15)14-8-12(7-13-9-14)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3
InChIKey
XCJATRYZNFIDNY-UHFFFAOYSA-N
Compound name
1-(5-phenyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

202.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 145.2
[M+Na]+ 225.099828 151.7
[M-H]- 201.103334 148.7
[M+NH4]+ 220.144433 161.2
[M+K]+ 241.073768 148.7
[M+H-H2O]+ 185.107870 136.5
[M+HCOO]- 247.108811 164.2
[M+CH3COO]- 261.124461 184.5
[M+Na-2H]- 223.085276 150.6
[M]+ 202.11006142 142.1
[M]- 202.11115858 142.1
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

patents stripe