CID 135926899

2-(3-aminophenyl)-6-ethyl-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C12H13N3O
SMILES
CCC1=CC(=O)NC(=N1)C2=CC(=CC=C2)N
InChI
InChI=1S/C12H13N3O/c1-2-10-7-11(16)15-12(14-10)8-4-3-5-9(13)6-8/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKey
VCGIACRJQWYQEY-UHFFFAOYSA-N
Compound name
2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 147.9
[M+Na]+ 238.09509 157.3
[M-H]- 214.09859 150.9
[M+NH4]+ 233.13969 163.0
[M+K]+ 254.06903 152.0
[M+H-H2O]+ 198.10313 139.7
[M+HCOO]- 260.10407 169.6
[M+CH3COO]- 274.11972 187.9
[M+Na-2H]- 236.08054 153.9
[M]+ 215.10532 145.7
[M]- 215.10642 145.7
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

No patent data available for this compound.