CID 208321

31991-99-8

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CCN(CC)C1=C(N(C(=O)N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C16H21N3O2/c1-5-18(6-2)14-12(3)17(4)16(21)19(15(14)20)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3
InChIKey
XCXZAVJKBNSINK-UHFFFAOYSA-N
Compound name
5-(diethylamino)-1,6-dimethyl-3-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 166.6
[M+Na]+ 310.15262 176.7
[M-H]- 286.15612 173.0
[M+NH4]+ 305.19722 180.7
[M+K]+ 326.12656 173.2
[M+H-H2O]+ 270.16066 157.2
[M+HCOO]- 332.16160 189.9
[M+CH3COO]- 346.17725 210.2
[M+Na-2H]- 308.13807 169.7
[M]+ 287.16285 171.3
[M]- 287.16395 171.3
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.