CID 477890

Chembl151312

Structural Information

Molecular Formula
C21H28N6O2
SMILES
CCCOC1=CC(=C(C=C1)OCCC)NCC2=CN=C3C(=C2C)C(=NC(=N3)N)N
InChI
InChI=1S/C21H28N6O2/c1-4-8-28-15-6-7-17(29-9-5-2)16(10-15)24-11-14-12-25-20-18(13(14)3)19(22)26-21(23)27-20/h6-7,10,12,24H,4-5,8-9,11H2,1-3H3,(H4,22,23,25,26,27)
InChIKey
RQIHFVXPJYOCDO-UHFFFAOYSA-N
Compound name
6-[(2,5-dipropoxyanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

396.2274 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.23468 200.2
[M+Na]+ 419.21662 207.7
[M-H]- 395.22012 203.3
[M+NH4]+ 414.26122 207.6
[M+K]+ 435.19056 201.6
[M+H-H2O]+ 379.22466 188.6
[M+HCOO]- 441.22560 219.9
[M+CH3COO]- 455.24125 234.3
[M+Na-2H]- 417.20207 203.3
[M]+ 396.22685 203.1
[M]- 396.22795 203.1
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.