CID 462577

Chembl52433

Structural Information

Molecular Formula
C20H26N6O3
SMILES
CCN(CC1=CN=C2C(=C1C)C(=NC(=N2)N)N)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H26N6O3/c1-6-26(13-7-14(27-3)17(29-5)15(8-13)28-4)10-12-9-23-19-16(11(12)2)18(21)24-20(22)25-19/h7-9H,6,10H2,1-5H3,(H4,21,22,23,24,25)
InChIKey
WCFNJGZVGSNPGG-UHFFFAOYSA-N
Compound name
6-[(N-ethyl-3,4,5-trimethoxyanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

398.20663 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21391 200.8
[M+Na]+ 421.19585 209.4
[M-H]- 397.19935 206.0
[M+NH4]+ 416.24045 208.9
[M+K]+ 437.16979 205.8
[M+H-H2O]+ 381.20389 189.3
[M+HCOO]- 443.20483 221.4
[M+CH3COO]- 457.22048 238.1
[M+Na-2H]- 419.18130 202.9
[M]+ 398.20608 206.3
[M]- 398.20718 206.3
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.