CID 135430800

Kinamycin c

Structural Information

Molecular Formula
C24H20N2O10
SMILES
CC(=O)O[C@@H]1[C@H]([C@]([C@@H](C2=C1C3=C(C2=[N+]=[N-])C(=O)C4=C(C3=O)C=CC=C4O)OC(=O)C)(C)O)OC(=O)C
InChI
InChI=1S/C24H20N2O10/c1-8(27)34-21-15-14-16(20(32)13-11(19(14)31)6-5-7-12(13)30)18(26-25)17(15)22(35-9(2)28)24(4,33)23(21)36-10(3)29/h5-7,21-23,30,33H,1-4H3/t21-,22+,23+,24+/m0/s1
InChIKey
MXDLFLPONIABIS-OLKYXYMISA-N
Compound name
[(1R,2R,3R,4S)-1,3-diacetyloxy-11-diazo-2,9-dihydroxy-2-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[b]fluoren-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

496.1118 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.11908 208.5
[M+Na]+ 519.10102 219.6
[M+NH4]+ 514.14562 212.3
[M+K]+ 535.07496 218.6
[M-H]- 495.10452 208.9
[M+Na-2H]- 517.08647 208.7
[M]+ 496.11125 209.7
[M]- 496.11235 209.7
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

patents stripe