CID 373075

Hydramycin

Structural Information

Molecular Formula
C22H16O8
SMILES
CC1=CC2=C(C3=C1C(=O)C=C(O3)C(CO)(C4CO4)O)C(=O)C5=C(C2=O)C=CC=C5O
InChI
InChI=1S/C22H16O8/c1-9-5-11-18(20(27)17-10(19(11)26)3-2-4-12(17)24)21-16(9)13(25)6-14(30-21)22(28,8-23)15-7-29-15/h2-6,15,23-24,28H,7-8H2,1H3
InChIKey
WZNWUDKIQDIRSR-UHFFFAOYSA-N
Compound name
2-[1,2-dihydroxy-1-(oxiran-2-yl)ethyl]-11-hydroxy-5-methylnaphtho[2,3-h]chromene-4,7,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11461
References

57
Patents

408.0845 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09178 190.0
[M+Na]+ 431.07372 201.8
[M-H]- 407.07722 198.3
[M+NH4]+ 426.11832 194.9
[M+K]+ 447.04766 198.9
[M+H-H2O]+ 391.08176 182.7
[M+HCOO]- 453.08270 200.9
[M+CH3COO]- 467.09835 224.7
[M+Na-2H]- 429.05917 196.1
[M]+ 408.08395 198.5
[M]- 408.08505 198.5
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

patents stripe