CID 511805

Chembl356279

Structural Information

Molecular Formula
C15H16N6O
SMILES
COC1=CC=CC(=C1)NCC2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C15H16N6O/c1-22-11-4-2-3-10(6-11)18-7-9-5-12-13(16)20-15(17)21-14(12)19-8-9/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21)
InChIKey
HGIQAONNGREZAK-UHFFFAOYSA-N
Compound name
6-[(3-methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.13855 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14583 168.4
[M+Na]+ 319.12777 177.2
[M-H]- 295.13127 171.9
[M+NH4]+ 314.17237 179.6
[M+K]+ 335.10171 171.4
[M+H-H2O]+ 279.13581 158.0
[M+HCOO]- 341.13675 190.3
[M+CH3COO]- 355.15240 178.7
[M+Na-2H]- 317.11322 176.3
[M]+ 296.13800 167.3
[M]- 296.13910 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.