CID 20116244

1-[(3-aminophenyl)methyl]-1,2-dihydropyrimidin-2-one

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1=CC(=CC(=C1)N)CN2C=CC=NC2=O
InChI
InChI=1S/C11H11N3O/c12-10-4-1-3-9(7-10)8-14-6-2-5-13-11(14)15/h1-7H,8,12H2
InChIKey
UKHXTQMLCJUOBO-UHFFFAOYSA-N
Compound name
1-[(3-aminophenyl)methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 142.5
[M+Na]+ 224.079428 151.8
[M-H]- 200.082934 146.6
[M+NH4]+ 219.124033 158.5
[M+K]+ 240.053368 147.6
[M+H-H2O]+ 184.087470 133.9
[M+HCOO]- 246.088411 166.1
[M+CH3COO]- 260.104061 186.1
[M+Na-2H]- 222.064876 150.3
[M]+ 201.08966142 141.4
[M]- 201.09075858 141.4
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

No patent data available for this compound.