CID 135472882

55545-80-7

Structural Information

Molecular Formula

C₇H₈F₃N₃O

SMILES

CN(C)C1=NC(=CC(=O)N1)C(F)(F)F

InChI

InChI=1S/C7H8F3N3O/c1-13(2)6-11-4(7(8,9)10)3-5(14)12-6/h3H,1-2H3,(H,11,12,14)

InChIKey

CWLLGCJZWOJVPK-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 6
Patents: 207.06195 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.069226	138.6
[M+Na]+	230.051168	148.6
[M-H]-	206.054674	136.5
[M+NH4]+	225.095773	155.0
[M+K]+	246.025108	146.2
[M+H-H2O]+	190.059210	129.3
[M+HCOO]-	252.060151	156.9
[M+CH3COO]-	266.075801	187.8
[M+Na-2H]-	228.036616	144.5
[M]+	207.06140142	134.8
[M]-	207.06249858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe