CID 135744234

Fl-120a

Structural Information

Molecular Formula
C26H24N2O10
SMILES
CC(C)C(=O)O[C@]1([C@@H]([C@H](C2=C([C@H]1OC(=O)C)C(=[N+]=[N-])C3=C2C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC(=O)C)C
InChI
InChI=1S/C26H24N2O10/c1-9(2)25(35)38-26(5)23(36-10(3)29)18-16(22(34)24(26)37-11(4)30)15-17(19(18)28-27)21(33)14-12(20(15)32)7-6-8-13(14)31/h6-9,22-24,31,34H,1-5H3/t22-,23+,24+,26+/m0/s1
InChIKey
ZTAVSQVTZIBGBH-POMLREGLSA-N
Compound name
[(1R,2R,3R,4S)-1,3-diacetyloxy-11-diazo-4,9-dihydroxy-2-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[b]fluoren-2-yl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.14307 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.15035 215.5
[M+Na]+ 547.13229 225.8
[M+NH4]+ 542.17689 218.9
[M+K]+ 563.10623 225.3
[M-H]- 523.13579 215.7
[M+Na-2H]- 545.11774 215.0
[M]+ 524.14252 216.5
[M]- 524.14362 216.5
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.