CID 456134

Nsc 50090

Structural Information

Molecular Formula
C16H20N8
SMILES
CCN(CC)C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N
InChI
InChI=1S/C16H20N8/c1-3-24(4-2)10-7-5-9(6-8-10)11-13(17)21-15-12(20-11)14(18)22-16(19)23-15/h5-8H,3-4H2,1-2H3,(H6,17,18,19,21,22,23)
InChIKey
MTABTSQDKLBKJK-UHFFFAOYSA-N
Compound name
6-[4-(diethylamino)phenyl]pteridine-2,4,7-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.1811 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.18838 180.3
[M+Na]+ 347.17032 189.1
[M-H]- 323.17382 183.7
[M+NH4]+ 342.21492 189.3
[M+K]+ 363.14426 183.3
[M+H-H2O]+ 307.17836 169.2
[M+HCOO]- 369.17930 201.1
[M+CH3COO]- 383.19495 189.5
[M+Na-2H]- 345.15577 185.9
[M]+ 324.18055 178.8
[M]- 324.18165 178.8
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.