CID 135921687

Chebi:132069

Structural Information

Molecular Formula
C10H16N5O14P3
SMILES
C([C@@H]1[C@@]2([C@H]([C@@H](O1)N3[C@@H]2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H16N5O14P3/c11-9-13-5-3(6(17)14-9)12-8-10(18)2(27-7(4(10)16)15(5)8)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,4,7-8,12,16,18H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t2-,4+,7-,8+,10+/m1/s1
InChIKey
HRBCPXBJAWPPIC-FLISOKMQSA-N
Compound name
[[(1R,10S,11R,12R,14R)-5-amino-11,14-dihydroxy-7-oxo-13-oxa-2,4,6,9-tetrazatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4-dien-12-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

522.99066 Da
Monoisotopic Mass

-6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.99794 197.3
[M+Na]+ 545.97988 200.8
[M-H]- 521.98338 191.0
[M+NH4]+ 541.02448 196.4
[M+K]+ 561.95382 203.2
[M+H-H2O]+ 505.98792 184.8
[M+HCOO]- 567.98886 199.0
[M+CH3COO]- 582.00451 203.8
[M+Na-2H]- 543.96533 185.0
[M]+ 522.99011 182.6
[M]- 522.99121 182.6
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.