CID 476031

Chembl140705

Structural Information

Molecular Formula
C14H14N6O
SMILES
COC1=CC=CC=C1NC2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C14H14N6O/c1-21-10-5-3-2-4-8(10)17-11-7-6-9-12(19-11)13(15)20-14(16)18-9/h2-7H,1H3,(H,17,19)(H4,15,16,18,20)
InChIKey
NYQPOZAOUVSDPK-UHFFFAOYSA-N
Compound name
6-N-(2-methoxyphenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.1229 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13018 164.2
[M+Na]+ 305.11212 173.4
[M-H]- 281.11562 167.9
[M+NH4]+ 300.15672 175.9
[M+K]+ 321.08606 167.8
[M+H-H2O]+ 265.12016 154.0
[M+HCOO]- 327.12110 186.3
[M+CH3COO]- 341.13675 174.9
[M+Na-2H]- 303.09757 172.5
[M]+ 282.12235 162.7
[M]- 282.12345 162.7
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.