CID 71296184

4-(beta-d-ribofuranosyl)aminobenzene 5'-phosphate(2-)

Structural Information

Molecular Formula
C11H16NO7P
SMILES
C1=CC(=CC=C1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N
InChI
InChI=1S/C11H16NO7P/c12-7-3-1-6(2-4-7)11-10(14)9(13)8(19-11)5-18-20(15,16)17/h1-4,8-11,13-14H,5,12H2,(H2,15,16,17)/t8-,9-,10-,11+/m1/s1
InChIKey
UKBUHWIOGWAJEO-DBIOUOCHSA-N
Compound name
[(2R,3S,4R,5S)-5-(4-aminophenyl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

305.06644 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07372 165.3
[M+Na]+ 328.05566 170.6
[M-H]- 304.05916 166.1
[M+NH4]+ 323.10026 177.7
[M+K]+ 344.02960 169.6
[M+H-H2O]+ 288.06370 157.3
[M+HCOO]- 350.06464 186.6
[M+CH3COO]- 364.08029 196.0
[M+Na-2H]- 326.04111 164.7
[M]+ 305.06589 164.0
[M]- 305.06699 164.0
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

patents stripe