CID 135398711

2-amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin

Structural Information

Molecular Formula
C9H15N5O6
SMILES
C(C(C(C1C(N(C2=C(N1)C(=O)NC(=N2)N)O)O)O)O)O
InChI
InChI=1S/C9H15N5O6/c10-9-12-6-4(7(18)13-9)11-3(8(19)14(6)20)5(17)2(16)1-15/h2-3,5,8,11,15-17,19-20H,1H2,(H3,10,12,13,18)
InChIKey
KQZRTOGFDRQBSR-UHFFFAOYSA-N
Compound name
2-amino-7,8-dihydroxy-6-(1,2,3-trihydroxypropyl)-3,5,6,7-tetrahydropteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.10223 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10951 165.2
[M+Na]+ 312.09145 171.5
[M-H]- 288.09495 155.7
[M+NH4]+ 307.13605 171.2
[M+K]+ 328.06539 167.1
[M+H-H2O]+ 272.09949 158.3
[M+HCOO]- 334.10043 170.5
[M+CH3COO]- 348.11608 192.1
[M+Na-2H]- 310.07690 165.2
[M]+ 289.10168 157.7
[M]- 289.10278 157.7
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.