CID 71768120

Cadprp

Structural Information

Molecular Formula
C15H23N5O16P3
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C[N+](=C4N)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)OP(=O)(O)O)O
InChI
InChI=1S/C15H22N5O16P3/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(33-14)1-31-38(27,28)36-39(29,30)32-2-6-9(22)11(35-37(24,25)26)15(34-6)20(13)3-17-7/h3-6,8-11,14-16,21-23H,1-2H2,(H4,24,25,26,27,28,29,30)/p+1/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
InChIKey
FUQPZSKOSARDNY-KEOHHSTQSA-O
Compound name
[(2R,3R,4S,5R,13R,14R,15R,16R)-24-amino-3,4,8,10,14-pentahydroxy-8,10-dioxo-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8lambda5,10lambda5-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22-tetraen-15-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

622.0353 Da
Monoisotopic Mass

-6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.04258 224.7
[M+Na]+ 645.02452 230.2
[M+NH4]+ 640.06912 226.4
[M+K]+ 660.99846 235.3
[M-H]- 621.02802 222.1
[M+Na-2H]- 643.00997 218.8
[M]+ 622.03475 224.5
[M]- 622.03585 224.5
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.