CID 175832

Acetic acid, (4-(2,4,7-triaminopteridin-6-yl)phenoxy)-

Structural Information

Molecular Formula
C14H13N7O3
SMILES
C1=CC(=CC=C1C2=NC3=C(N=C(N=C3N=C2N)N)N)OCC(=O)O
InChI
InChI=1S/C14H13N7O3/c15-11-9(6-1-3-7(4-2-6)24-5-8(22)23)18-10-12(16)20-14(17)21-13(10)19-11/h1-4H,5H2,(H,22,23)(H6,15,16,17,19,20,21)
InChIKey
NITMZPMAPMKZGE-UHFFFAOYSA-N
Compound name
2-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.108 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11528 173.5
[M+Na]+ 350.09722 185.1
[M+NH4]+ 345.14182 177.4
[M+K]+ 366.07116 181.7
[M-H]- 326.10072 175.6
[M+Na-2H]- 348.08267 178.7
[M]+ 327.10745 175.2
[M]- 327.10855 175.2
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.