CID 137348315

Queuosine 5'-phosphate

Structural Information

Molecular Formula
C17H24N5O10P
SMILES
C1=C[C@@H]([C@@H]([C@H]1NCC2=CN(C3=C2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C17H24N5O10P/c18-17-20-14-10(15(27)21-17)6(3-19-7-1-2-8(23)11(7)24)4-22(14)16-13(26)12(25)9(32-16)5-31-33(28,29)30/h1-2,4,7-9,11-13,16,19,23-26H,3,5H2,(H2,28,29,30)(H3,18,20,21,27)/t7-,8-,9+,11+,12+,13+,16+/m0/s1
InChIKey
BSABGNSIPKXNDL-AEZJAUAXSA-N
Compound name
[(2R,3S,4R,5R)-5-[2-amino-5-[[[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.12607 Da
Monoisotopic Mass

-8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.13335 209.5
[M+Na]+ 512.11529 214.5
[M-H]- 488.11879 204.1
[M+NH4]+ 507.15989 210.3
[M+K]+ 528.08923 219.2
[M+H-H2O]+ 472.12333 194.7
[M+HCOO]- 534.12427 212.4
[M+CH3COO]- 548.13992 232.3
[M+Na-2H]- 510.10074 210.0
[M]+ 489.12552 211.5
[M]- 489.12662 211.5
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.