CID 135434814

Zinc03648139

Structural Information

Molecular Formula
C15H17F2N3O
SMILES
CC1=C(N=C(NC1=O)NC(C)C)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C15H17F2N3O/c1-8(2)18-15-19-13(9(3)14(21)20-15)7-10-11(16)5-4-6-12(10)17/h4-6,8H,7H2,1-3H3,(H2,18,19,20,21)
InChIKey
LWYSWCKHCUGSBV-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.13397 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14125 167.0
[M+Na]+ 316.12319 176.7
[M-H]- 292.12669 168.0
[M+NH4]+ 311.16779 179.5
[M+K]+ 332.09713 170.6
[M+H-H2O]+ 276.13123 156.6
[M+HCOO]- 338.13217 185.1
[M+CH3COO]- 352.14782 206.3
[M+Na-2H]- 314.10864 168.5
[M]+ 293.13342 164.9
[M]- 293.13452 164.9
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.