CID 135511602

2-amino-5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-3h,4h,5h,6h,7h,8h-pyrido[2,3-d]pyrimidine-4,7-dione

Structural Information

Molecular Formula
C17H18N4O4
SMILES
COC1=C(C=CC(=C1)C2CC(=O)NC3=C2C(=O)NC(=N3)N)OCC=C
InChI
InChI=1S/C17H18N4O4/c1-3-6-25-11-5-4-9(7-12(11)24-2)10-8-13(22)19-15-14(10)16(23)21-17(18)20-15/h3-5,7,10H,1,6,8H2,2H3,(H4,18,19,20,21,22,23)
InChIKey
DCSWTWUTSKSXOV-UHFFFAOYSA-N
Compound name
2-amino-5-(3-methoxy-4-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

342.1328 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14008 181.8
[M+Na]+ 365.12202 190.4
[M-H]- 341.12552 182.7
[M+NH4]+ 360.16662 190.3
[M+K]+ 381.09596 183.6
[M+H-H2O]+ 325.13006 171.9
[M+HCOO]- 387.13100 196.4
[M+CH3COO]- 401.14665 211.5
[M+Na-2H]- 363.10747 183.8
[M]+ 342.13225 180.0
[M]- 342.13335 180.0
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