CID 482165

Chembl151673

Structural Information

Molecular Formula
C19H24N6O4
SMILES
COCC1=C2C(=NC(=NC2=NC=C1CNC3=CC(=C(C(=C3)OC)OC)OC)N)N
InChI
InChI=1S/C19H24N6O4/c1-26-9-12-10(8-23-18-15(12)17(20)24-19(21)25-18)7-22-11-5-13(27-2)16(29-4)14(6-11)28-3/h5-6,8,22H,7,9H2,1-4H3,(H4,20,21,23,24,25)
InChIKey
PZZGUYRRUOQPOS-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-6-[(3,4,5-trimethoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

400.1859 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19318 197.9
[M+Na]+ 423.17512 206.5
[M-H]- 399.17862 201.7
[M+NH4]+ 418.21972 205.1
[M+K]+ 439.14906 202.5
[M+H-H2O]+ 383.18316 186.4
[M+HCOO]- 445.18410 218.4
[M+CH3COO]- 459.19975 234.4
[M+Na-2H]- 421.16057 201.4
[M]+ 400.18535 203.2
[M]- 400.18645 203.2
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.