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]+ 421.128176 193.3
[M+Na]+ 443.110118 200.4
[M-H]- 419.113624 197.9
[M+NH4]+ 438.154723 205.5
[M+K]+ 459.084058 197.8
[M+H-H2O]+ 403.118160 185.2
[M+HCOO]- 465.119101 205.8
[M+CH3COO]- 479.134751 230.2
[M+Na-2H]- 441.095566 193.2
[M]+ 420.12035142 197.6
[M]- 420.12144858 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