CID 135434838

Chembl239122

Structural Information

Molecular Formula
C17H20F2N4O
SMILES
CC1=C(N=C(NC1=O)N2CCN(CC2)C)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C17H20F2N4O/c1-11-15(10-12-13(18)4-3-5-14(12)19)20-17(21-16(11)24)23-8-6-22(2)7-9-23/h3-5H,6-10H2,1-2H3,(H,20,21,24)
InChIKey
ODHKZVYEHOOCBF-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.16052 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16780 182.9
[M+Na]+ 357.14974 192.0
[M-H]- 333.15324 183.4
[M+NH4]+ 352.19434 190.6
[M+K]+ 373.12368 184.0
[M+H-H2O]+ 317.15778 169.7
[M+HCOO]- 379.15872 194.2
[M+CH3COO]- 393.17437 190.8
[M+Na-2H]- 355.13519 182.3
[M]+ 334.15997 177.2
[M]- 334.16107 177.2
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.