CID 135524741

Chembl4563300

Structural Information

Molecular Formula
C16H19F2N3O
SMILES
CC1=C(N=C(NC1=O)NC(C)C)C(C)C2=C(C=CC=C2F)F
InChI
InChI=1S/C16H19F2N3O/c1-8(2)19-16-20-14(10(4)15(22)21-16)9(3)13-11(17)6-5-7-12(13)18/h5-9H,1-4H3,(H2,19,20,21,22)
InChIKey
UTZAZWXOSMWPRE-UHFFFAOYSA-N
Compound name
4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(propan-2-ylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.14963 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15691 171.3
[M+Na]+ 330.13885 180.2
[M-H]- 306.14235 172.2
[M+NH4]+ 325.18345 183.1
[M+K]+ 346.11279 174.5
[M+H-H2O]+ 290.14689 160.9
[M+HCOO]- 352.14783 188.0
[M+CH3COO]- 366.16348 210.2
[M+Na-2H]- 328.12430 171.0
[M]+ 307.14908 168.9
[M]- 307.15018 168.9
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.