CID 467763

Chembl2282814

Structural Information

Molecular Formula

C₁₀H₁₄N₆

SMILES

CCC1=C(N=C2C(=N1)C(=NC(=N2)N)N)CC

InChI

InChI=1S/C10H14N6/c1-3-5-6(4-2)14-9-7(13-5)8(11)15-10(12)16-9/h3-4H2,1-2H3,(H4,11,12,14,15,16)

InChIKey

BUZKILZDXOORCH-UHFFFAOYSA-N

Compound name

6,7-diethylpteridine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 218.12799 Da
Monoisotopic Mass: 0.8
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]+	219.13527	153.2
[M+Na]+	241.11721	164.0
[M-H]-	217.12071	152.4
[M+NH4]+	236.16181	167.2
[M+K]+	257.09115	159.1
[M+H-H2O]+	201.12525	144.3
[M+HCOO]-	263.12619	172.7
[M+CH3COO]-	277.14184	196.3
[M+Na-2H]-	239.10266	160.0
[M]+	218.12744	152.6
[M]-	218.12854	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe