PubChemLite - Fl-120a (C26H24N2O10)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	525.15035	214.3
[M+Na]+	547.13229	221.4
[M-H]-	523.13579	219.9
[M+NH4]+	542.17689	224.9
[M+K]+	563.10623	215.7
[M+H-H2O]+	507.14033	212.4
[M+HCOO]-	569.14127	231.0
[M+CH3COO]-	583.15692	243.8
[M+Na-2H]-	545.11774	216.6
[M]+	524.14252	221.6
[M]-	524.14362	221.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.15035

214.3

[M+Na]+

547.13229

221.4

[M-H]-

523.13579

219.9

[M+NH4]+

542.17689

224.9

[M+K]+

563.10623

215.7

[M+H-H2O]+

507.14033

212.4

[M+HCOO]-

569.14127

231.0

[M+CH3COO]-

583.15692

243.8

[M+Na-2H]-

545.11774

216.6

[M]+

524.14252

221.6

[M]-

524.14362

221.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fl-120a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe