CID 52940216

Toyocamycin phosphate

Structural Information

Molecular Formula
C12H14N5O7P
SMILES
C1=C(C2=C(N=CN=C2N1[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)C#N
InChI
InChI=1S/C12H14N5O7P/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h2,4,6,8-9,12,18-19H,3H2,(H2,14,15,16)(H2,20,21,22)/t6-,8-,9-,12+/m1/s1
InChIKey
GLYAMNXJUPATCT-PPSWKLDYSA-N
Compound name
[(2R,3S,4R,5S)-5-(4-amino-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

371.06308 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.07036 179.3
[M+Na]+ 394.05230 185.5
[M+NH4]+ 389.09690 177.8
[M+K]+ 410.02624 186.3
[M-H]- 370.05580 170.1
[M+Na-2H]- 392.03775 175.6
[M]+ 371.06253 176.0
[M]- 371.06363 176.0
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

No patent data available for this compound.