CID 479421

Chembl286700

Structural Information

Molecular Formula

C₁₄H₁₄N₆

SMILES

C1=CC=C(C=C1)CNC2=CC3=C(N=C(N=C3N=C2)N)N

InChI

InChI=1S/C14H14N6/c15-12-11-6-10(8-18-13(11)20-14(16)19-12)17-7-9-4-2-1-3-5-9/h1-6,8,17H,7H2,(H4,15,16,18,19,20)

InChIKey

KMOIFFSVLACNJY-UHFFFAOYSA-N

Compound name

6-N-benzylpyrido[2,3-d]pyrimidine-2,4,6-triamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 266.128 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.13528	159.6
[M+Na]+	289.11722	168.2
[M-H]-	265.12072	162.9
[M+NH4]+	284.16182	171.8
[M+K]+	305.09116	161.9
[M+H-H2O]+	249.12526	149.5
[M+HCOO]-	311.12620	181.7
[M+CH3COO]-	325.14185	170.2
[M+Na-2H]-	287.10267	168.9
[M]+	266.12745	156.4
[M]-	266.12855	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe