CID 363069

Nsc627621

Structural Information

Molecular Formula
C24H20O7
SMILES
CC(C1=CC2=C(CC1)C(=C3C(=C2OC(=O)C)C(=O)C4=CC=CC=C4C3=O)OC(=O)C)O
InChI
InChI=1S/C24H20O7/c1-11(25)14-8-9-17-18(10-14)24(31-13(3)27)20-19(23(17)30-12(2)26)21(28)15-6-4-5-7-16(15)22(20)29/h4-7,10-11,25H,8-9H2,1-3H3
InChIKey
QDODNZZQLMDWKR-UHFFFAOYSA-N
Compound name
[12-acetyloxy-2-(1-hydroxyethyl)-6,11-dioxo-3,4-dihydrotetracen-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

420.1209 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12818 193.3
[M+Na]+ 443.11012 200.4
[M-H]- 419.11362 197.9
[M+NH4]+ 438.15472 205.5
[M+K]+ 459.08406 197.8
[M+H-H2O]+ 403.11816 185.2
[M+HCOO]- 465.11910 205.8
[M+CH3COO]- 479.13475 230.2
[M+Na-2H]- 441.09557 193.2
[M]+ 420.12035 197.6
[M]- 420.12145 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe