CID 160887

Tetrangomycin

Structural Information

Molecular Formula
C19H14O5
SMILES
CC1(CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O)O
InChI
InChI=1S/C19H14O5/c1-19(24)7-9-5-6-11-16(14(9)13(21)8-19)18(23)10-3-2-4-12(20)15(10)17(11)22/h2-6,20,24H,7-8H2,1H3
InChIKey
UGEKKXLEYACFTD-UHFFFAOYSA-N
Compound name
3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

196
Patents

322.08414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09142 171.5
[M+Na]+ 345.07336 185.9
[M+NH4]+ 340.11796 181.0
[M+K]+ 361.04730 177.1
[M-H]- 321.07686 173.9
[M+Na-2H]- 343.05881 175.8
[M]+ 322.08359 174.4
[M]- 322.08469 174.4
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