CID 135524746

[4-[(2,6-difluorophenyl)methyl]-5-methyl-6-oxo-1h-pyrimidin-2-yl]cyanamide

Structural Information

Molecular Formula
C13H10F2N4O
SMILES
CC1=C(N=C(NC1=O)NC#N)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C13H10F2N4O/c1-7-11(18-13(17-6-16)19-12(7)20)5-8-9(14)3-2-4-10(8)15/h2-4H,5H2,1H3,(H2,17,18,19,20)
InChIKey
PVBJAZKOVFQDOB-UHFFFAOYSA-N
Compound name
[4-[(2,6-difluorophenyl)methyl]-5-methyl-6-oxo-1H-pyrimidin-2-yl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.08228 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08956 158.3
[M+Na]+ 299.07150 169.8
[M-H]- 275.07500 157.8
[M+NH4]+ 294.11610 169.4
[M+K]+ 315.04544 163.6
[M+H-H2O]+ 259.07954 141.5
[M+HCOO]- 321.08048 174.2
[M+CH3COO]- 335.09613 210.8
[M+Na-2H]- 297.05695 161.3
[M]+ 276.08173 150.4
[M]- 276.08283 150.4
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.