CID 135434809

2-(cyclopropylamino)-4-[(2,6-difluorophenyl)methyl]-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C14H13F2N3O
SMILES
C1CC1NC2=NC(=CC(=O)N2)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C14H13F2N3O/c15-11-2-1-3-12(16)10(11)6-9-7-13(20)19-14(18-9)17-8-4-5-8/h1-3,7-8H,4-6H2,(H2,17,18,19,20)
InChIKey
ICXNVYPOFXRSFN-UHFFFAOYSA-N
Compound name
2-(cyclopropylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.10266 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10994 159.6
[M+Na]+ 300.09188 170.7
[M-H]- 276.09538 164.0
[M+NH4]+ 295.13648 167.7
[M+K]+ 316.06582 163.0
[M+H-H2O]+ 260.09992 148.9
[M+HCOO]- 322.10086 179.9
[M+CH3COO]- 336.11651 170.3
[M+Na-2H]- 298.07733 163.9
[M]+ 277.10211 158.5
[M]- 277.10321 158.5
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.