CID 6481088

Ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate

Structural Information

Molecular Formula
C24H31N5O4
SMILES
CCOC(=O)CCCCCOC1=CC(=C(C=C1)OC)CC2=CN=C3C(=C2C)C(=NC(=N3)N)N
InChI
InChI=1S/C24H31N5O4/c1-4-32-20(30)8-6-5-7-11-33-18-9-10-19(31-3)16(13-18)12-17-14-27-23-21(15(17)2)22(25)28-24(26)29-23/h9-10,13-14H,4-8,11-12H2,1-3H3,(H4,25,26,27,28,29)
InChIKey
FGBRLIYQKRWOSO-UHFFFAOYSA-N
Compound name
ethyl 6-[3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

453.2376 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.24488 215.2
[M+Na]+ 476.22682 221.5
[M-H]- 452.23032 217.8
[M+NH4]+ 471.27142 220.1
[M+K]+ 492.20076 216.4
[M+H-H2O]+ 436.23486 203.1
[M+HCOO]- 498.23580 232.2
[M+CH3COO]- 512.25145 241.7
[M+Na-2H]- 474.21227 215.2
[M]+ 453.23705 221.0
[M]- 453.23815 221.0
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.