CID 135398710

2-amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin

Structural Information

Molecular Formula
C9H15N5O8
SMILES
C(C(C(C1(C(N(C2=C(N1O)C(=O)NC(=N2)N)O)O)O)O)O)O
InChI
InChI=1S/C9H15N5O8/c10-8-11-5-3(6(18)12-8)14(22)9(20,7(19)13(5)21)4(17)2(16)1-15/h2,4,7,15-17,19-22H,1H2,(H3,10,11,12,18)
InChIKey
XWORXFNMQCQKKK-UHFFFAOYSA-N
Compound name
2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,7-dihydropteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.09207 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09935 170.2
[M+Na]+ 344.08129 177.4
[M-H]- 320.08479 160.2
[M+NH4]+ 339.12589 176.4
[M+K]+ 360.05523 174.5
[M+H-H2O]+ 304.08933 164.6
[M+HCOO]- 366.09027 174.4
[M+CH3COO]- 380.10592 197.0
[M+Na-2H]- 342.06674 171.1
[M]+ 321.09152 165.0
[M]- 321.09262 165.0
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

patents stripe