CID 3041049

4(3h)-pyrimidinone, 5-(dimethylamino)-6-methyl-3-phenyl-, dihydrobromide

Structural Information

Molecular Formula
C13H15N3O
SMILES
CC1=C(C(=O)N(C=N1)C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C13H15N3O/c1-10-12(15(2)3)13(17)16(9-14-10)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKey
AHKBRSLTSMKZEP-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-6-methyl-3-phenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 150.7
[M+Na]+ 252.11072 160.2
[M-H]- 228.11422 156.9
[M+NH4]+ 247.15532 166.8
[M+K]+ 268.08466 157.3
[M+H-H2O]+ 212.11876 141.6
[M+HCOO]- 274.11970 174.7
[M+CH3COO]- 288.13535 197.4
[M+Na-2H]- 250.09617 157.0
[M]+ 229.12095 152.9
[M]- 229.12205 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.