CID 3074882

Pteridine-2,4,7-triamine, 6-(4-(2-(4-morpholinyl)ethoxy)phenyl)-

Structural Information

Molecular Formula
C18H22N8O2
SMILES
C1COCCN1CCOC2=CC=C(C=C2)C3=NC4=C(N=C(N=C4N=C3N)N)N
InChI
InChI=1S/C18H22N8O2/c19-15-13(22-14-16(20)24-18(21)25-17(14)23-15)11-1-3-12(4-2-11)28-10-7-26-5-8-27-9-6-26/h1-4H,5-10H2,(H6,19,20,21,23,24,25)
InChIKey
GFGDZKAWUFFQGV-UHFFFAOYSA-N
Compound name
6-[4-(2-morpholin-4-ylethoxy)phenyl]pteridine-2,4,7-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18658 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19386 194.3
[M+Na]+ 405.17580 201.0
[M-H]- 381.17930 197.6
[M+NH4]+ 400.22040 196.9
[M+K]+ 421.14974 194.8
[M+H-H2O]+ 365.18384 180.9
[M+HCOO]- 427.18478 207.7
[M+CH3COO]- 441.20043 200.7
[M+Na-2H]- 403.16125 198.8
[M]+ 382.18603 189.9
[M]- 382.18713 189.9
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.