CID 476043

Chembl140940

Structural Information

Molecular Formula
C14H14N6
SMILES
CN(C1=CC=CC=C1)C2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C14H14N6/c1-20(9-5-3-2-4-6-9)11-8-7-10-12(18-11)13(15)19-14(16)17-10/h2-8H,1H3,(H4,15,16,17,19)
InChIKey
DCDJNQRXMBHXRY-UHFFFAOYSA-N
Compound name
6-N-methyl-6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

266.128 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13528 160.7
[M+Na]+ 289.11722 169.4
[M-H]- 265.12072 165.4
[M+NH4]+ 284.16182 173.5
[M+K]+ 305.09116 164.4
[M+H-H2O]+ 249.12526 150.3
[M+HCOO]- 311.12620 183.2
[M+CH3COO]- 325.14185 171.8
[M+Na-2H]- 287.10267 169.2
[M]+ 266.12745 158.7
[M]- 266.12855 158.7
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.