CID 142550463

2305203-90-9

Structural Information

Molecular Formula
C15H16N4O3
SMILES
CCOC1=CC=CC(=C1)C2CC(=O)NC3=C2C(=O)NC(=N3)N
InChI
InChI=1S/C15H16N4O3/c1-2-22-9-5-3-4-8(6-9)10-7-11(20)17-13-12(10)14(21)19-15(16)18-13/h3-6,10H,2,7H2,1H3,(H4,16,17,18,19,20,21)
InChIKey
TWKAVZWBDFFCEU-UHFFFAOYSA-N
Compound name
2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

300.12225 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 170.7
[M+Na]+ 323.11147 179.4
[M-H]- 299.11497 171.6
[M+NH4]+ 318.15607 181.0
[M+K]+ 339.08541 172.8
[M+H-H2O]+ 283.11951 161.2
[M+HCOO]- 345.12045 185.8
[M+CH3COO]- 359.13610 179.9
[M+Na-2H]- 321.09692 174.5
[M]+ 300.12170 167.2
[M]- 300.12280 167.2
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

patents stripe