CID 3087472

Crl 41378

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

7
Patents

202.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 145.9
[M+Na]+ 225.09983 159.6
[M+NH4]+ 220.14443 154.1
[M+K]+ 241.07377 152.6
[M-H]- 201.10333 149.1
[M+Na-2H]- 223.08528 154.3
[M]+ 202.11006 148.7
[M]- 202.11116 148.7
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