CID 5280038

Schembl6636828

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC=NC=C2)NC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C20H22N4O2/c1-4-17-18(22-16-10-13(2)9-14(3)11-16)24(20(26)23-19(17)25)12-15-5-7-21-8-6-15/h5-11,22H,4,12H2,1-3H3,(H,23,25,26)
InChIKey
SVIJVBKNPKICBL-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylanilino)-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

350.1743 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 187.2
[M+Na]+ 373.16352 196.9
[M-H]- 349.16702 192.6
[M+NH4]+ 368.20812 195.4
[M+K]+ 389.13746 189.2
[M+H-H2O]+ 333.17156 175.8
[M+HCOO]- 395.17250 206.7
[M+CH3COO]- 409.18815 216.6
[M+Na-2H]- 371.14897 190.0
[M]+ 350.17375 188.3
[M]- 350.17485 188.3
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