CID 6481087

Chembl189953

Structural Information

Molecular Formula
C23H29N5O4
SMILES
CCOC(=O)CCCCOC1=CC(=C(C=C1)OC)CC2=CN=C3C(=C2C)C(=NC(=N3)N)N
InChI
InChI=1S/C23H29N5O4/c1-4-31-19(29)7-5-6-10-32-17-8-9-18(30-3)15(12-17)11-16-13-26-22-20(14(16)2)21(24)27-23(25)28-22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H4,24,25,26,27,28)
InChIKey
MXQNQGPRVZDOOS-UHFFFAOYSA-N
Compound name
ethyl 5-[3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

439.22195 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.22923 211.0
[M+Na]+ 462.21117 217.8
[M-H]- 438.21467 213.8
[M+NH4]+ 457.25577 216.5
[M+K]+ 478.18511 212.8
[M+H-H2O]+ 422.21921 199.1
[M+HCOO]- 484.22015 228.4
[M+CH3COO]- 498.23580 238.9
[M+Na-2H]- 460.19662 211.4
[M]+ 439.22140 216.5
[M]- 439.22250 216.5
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

No patent data available for this compound.