CID 3074880

Pteridine-2,4,7-triamine, 6-(4-(2-(bis(1-methylethyl)amino)ethoxy)phenyl)-

Structural Information

Molecular Formula
C20H28N8O
SMILES
CC(C)N(CCOC1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N)C(C)C
InChI
InChI=1S/C20H28N8O/c1-11(2)28(12(3)4)9-10-29-14-7-5-13(6-8-14)15-17(21)25-19-16(24-15)18(22)26-20(23)27-19/h5-8,11-12H,9-10H2,1-4H3,(H6,21,22,23,25,26,27)
InChIKey
KGNBUZJQYSESKJ-UHFFFAOYSA-N
Compound name
6-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]pteridine-2,4,7-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.23862 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.24590 200.0
[M+Na]+ 419.22784 206.1
[M-H]- 395.23134 203.1
[M+NH4]+ 414.27244 205.9
[M+K]+ 435.20178 201.7
[M+H-H2O]+ 379.23588 188.5
[M+HCOO]- 441.23682 217.7
[M+CH3COO]- 455.25247 240.4
[M+Na-2H]- 417.21329 201.7
[M]+ 396.23807 200.0
[M]- 396.23917 200.0
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.