CID 5280037

Schembl6636341

Structural Information

Molecular Formula
C21H24N4O2
SMILES
CC1=CC(=CC(=C1)NC2=C(C(=O)NC(=O)N2CC3=CC=NC=C3)C(C)C)C
InChI
InChI=1S/C21H24N4O2/c1-13(2)18-19(23-17-10-14(3)9-15(4)11-17)25(21(27)24-20(18)26)12-16-5-7-22-8-6-16/h5-11,13,23H,12H2,1-4H3,(H,24,26,27)
InChIKey
MXPRDXVXOAKPRW-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylanilino)-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

364.1899 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 191.0
[M+Na]+ 387.17912 200.0
[M-H]- 363.18262 196.3
[M+NH4]+ 382.22372 198.6
[M+K]+ 403.15306 192.7
[M+H-H2O]+ 347.18716 179.7
[M+HCOO]- 409.18810 209.2
[M+CH3COO]- 423.20375 220.5
[M+Na-2H]- 385.16457 192.3
[M]+ 364.18935 191.9
[M]- 364.19045 191.9
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

patents stripe