CID 462574

Chembl53903

Structural Information

Molecular Formula
C20H20N6O
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=CC=C(C4=CC=CC=C43)OC)N)N
InChI
InChI=1S/C20H20N6O/c1-11-12(10-24-19-17(11)18(21)25-20(22)26-19)9-23-15-7-8-16(27-2)14-6-4-3-5-13(14)15/h3-8,10,23H,9H2,1-2H3,(H4,21,22,24,25,26)
InChIKey
WRDIIGHJSQOTJF-UHFFFAOYSA-N
Compound name
6-[[(4-methoxynaphthalen-1-yl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

360.16986 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17714 188.2
[M+Na]+ 383.15908 198.7
[M-H]- 359.16258 193.1
[M+NH4]+ 378.20368 198.0
[M+K]+ 399.13302 191.2
[M+H-H2O]+ 343.16712 177.0
[M+HCOO]- 405.16806 209.0
[M+CH3COO]- 419.18371 197.8
[M+Na-2H]- 381.14453 196.0
[M]+ 360.16931 189.7
[M]- 360.17041 189.7
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.