CID 509277

4-[6-(3-ethyl-4-methyl-anilino)-2,4-dioxo-1h-pyrimidin-3-yl]-n-(2-furylmethyl)butanamide

Structural Information

Molecular Formula
C22H26N4O4
SMILES
CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCC(=O)NCC3=CC=CO3)C
InChI
InChI=1S/C22H26N4O4/c1-3-16-12-17(9-8-15(16)2)24-19-13-21(28)26(22(29)25-19)10-4-7-20(27)23-14-18-6-5-11-30-18/h5-6,8-9,11-13,24H,3-4,7,10,14H2,1-2H3,(H,23,27)(H,25,29)
InChIKey
CILQUSCXDNTLKB-UHFFFAOYSA-N
Compound name
4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]-N-(furan-2-ylmethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1954 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20268 200.2
[M+Na]+ 433.18462 206.7
[M-H]- 409.18812 207.4
[M+NH4]+ 428.22922 207.1
[M+K]+ 449.15856 201.7
[M+H-H2O]+ 393.19266 189.4
[M+HCOO]- 455.19360 221.1
[M+CH3COO]- 469.20925 227.7
[M+Na-2H]- 431.17007 200.4
[M]+ 410.19485 203.3
[M]- 410.19595 203.3
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

No patent data available for this compound.