CID 457350

Chembl23844

Structural Information

Molecular Formula
C20H26N6O2
SMILES
CCOC1=CC(=C(C=C1)OCC)N(C)CC2=CN=C3C(=C2C)C(=NC(=N3)N)N
InChI
InChI=1S/C20H26N6O2/c1-5-27-14-7-8-16(28-6-2)15(9-14)26(4)11-13-10-23-19-17(12(13)3)18(21)24-20(22)25-19/h7-10H,5-6,11H2,1-4H3,(H4,21,22,23,24,25)
InChIKey
ZUXUBCJQFVWMFT-UHFFFAOYSA-N
Compound name
6-[(2,5-diethoxy-N-methylanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

382.21173 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21901 196.9
[M+Na]+ 405.20095 205.0
[M-H]- 381.20445 201.7
[M+NH4]+ 400.24555 205.5
[M+K]+ 421.17489 200.4
[M+H-H2O]+ 365.20899 185.4
[M+HCOO]- 427.20993 217.4
[M+CH3COO]- 441.22558 234.5
[M+Na-2H]- 403.18640 199.7
[M]+ 382.21118 200.7
[M]- 382.21228 200.7
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.