CID 208324

Brn 0752718

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)C)N(C)C
InChI
InChI=1S/C14H17N3O2/c1-10-12(15(2)3)13(18)16(4)14(19)17(10)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKey
QCFFJPDKTFNUHI-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.13208 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 157.3
[M+Na]+ 282.12130 168.4
[M-H]- 258.12480 164.1
[M+NH4]+ 277.16590 172.6
[M+K]+ 298.09524 165.3
[M+H-H2O]+ 242.12934 148.4
[M+HCOO]- 304.13028 181.3
[M+CH3COO]- 318.14593 204.2
[M+Na-2H]- 280.10675 161.5
[M]+ 259.13153 161.4
[M]- 259.13263 161.4
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.