CID 94577

Cepharadione a

Structural Information

Molecular Formula
C18H11NO4
SMILES
CN1C2=CC3=CC=CC=C3C4=C2C(=CC5=C4OCO5)C(=O)C1=O
InChI
InChI=1S/C18H11NO4/c1-19-12-6-9-4-2-3-5-10(9)15-14(12)11(16(20)18(19)21)7-13-17(15)23-8-22-13/h2-7H,8H2,1H3
InChIKey
RZIGKFTVXWUUCX-UHFFFAOYSA-N
Compound name
11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

305.06882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07610 164.9
[M+Na]+ 328.05804 177.1
[M-H]- 304.06154 172.5
[M+NH4]+ 323.10264 182.2
[M+K]+ 344.03198 174.1
[M+H-H2O]+ 288.06608 157.2
[M+HCOO]- 350.06702 180.9
[M+CH3COO]- 364.08267 177.8
[M+Na-2H]- 326.04349 172.2
[M]+ 305.06827 170.7
[M]- 305.06937 170.7
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