CID 101661861

Ns00117103

Structural Information

Molecular Formula
C23H20N6O10
SMILES
C1=CC=C(C=C1)OC2=C3C=CC=CN3C(=O)C(=C2)C(=O)NC4=NN(N=N4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChI
InChI=1S/C23H20N6O10/c30-15-16(31)18(21(35)36)38-22(17(15)32)39-29-26-23(25-27-29)24-19(33)12-10-14(37-11-6-2-1-3-7-11)13-8-4-5-9-28(13)20(12)34/h1-10,15-18,22,30-32H,(H,35,36)(H,24,26,33)/t15-,16-,17+,18-,22-/m0/s1
InChIKey
ZRRIOSTWOXCBKN-ARNOYJHMSA-N
Compound name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-[(4-oxo-1-phenoxyquinolizine-3-carbonyl)amino]tetrazol-2-yl]oxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.1241 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.13138 220.9
[M+Na]+ 563.11332 231.8
[M+NH4]+ 558.15792 220.1
[M+K]+ 579.08726 233.7
[M-H]- 539.11682 223.0
[M+Na-2H]- 561.09877 223.5
[M]+ 540.12355 222.3
[M]- 540.12465 222.3
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.