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

6
Patents

218.12799 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.