CID 3045404

Mazokalim

Structural Information

Molecular Formula
C23H28N6O6
SMILES
CCOC(=O)CCCN1C(=NN=N1)C2=CC3=C(C=C2)OC([C@@]([C@@H]3OC4=NNC(=O)C=C4)(C)O)(C)C
InChI
InChI=1S/C23H28N6O6/c1-5-33-19(31)7-6-12-29-21(26-27-28-29)14-8-9-16-15(13-14)20(23(4,32)22(2,3)35-16)34-18-11-10-17(30)24-25-18/h8-11,13,20,32H,5-7,12H2,1-4H3,(H,24,30)/t20-,23+/m1/s1
InChIKey
NMOVZVDTGJSEMC-OFNKIYASSA-N
Compound name
ethyl 4-[5-[(3S,4R)-3-hydroxy-2,2,3-trimethyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-4H-chromen-6-yl]tetrazol-1-yl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

484.20703 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.21431 214.2
[M+Na]+ 507.19625 222.9
[M-H]- 483.19975 216.2
[M+NH4]+ 502.24085 217.3
[M+K]+ 523.17019 218.8
[M+H-H2O]+ 467.20429 202.3
[M+HCOO]- 529.20523 222.6
[M+CH3COO]- 543.22088 233.4
[M+Na-2H]- 505.18170 215.1
[M]+ 484.20648 219.7
[M]- 484.20758 219.7
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.