CID 363452

Naphthoherniarin

Structural Information

Molecular Formula
C22H16O6
SMILES
CC1=CC(=C2C(=C1)C(=O)C=C(C2=O)OC)C3=C(C=C4C(=C3)C=CC(=O)O4)OC
InChI
InChI=1S/C22H16O6/c1-11-6-14(21-15(7-11)16(23)9-19(27-3)22(21)25)13-8-12-4-5-20(24)28-17(12)10-18(13)26-2/h4-10H,1-3H3
InChIKey
MSDIEAZOLJWCBV-UHFFFAOYSA-N
Compound name
2-methoxy-8-(7-methoxy-2-oxochromen-6-yl)-6-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

376.0947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10198 185.1
[M+Na]+ 399.08392 196.9
[M-H]- 375.08742 195.7
[M+NH4]+ 394.12852 198.3
[M+K]+ 415.05786 194.3
[M+H-H2O]+ 359.09196 175.7
[M+HCOO]- 421.09290 204.9
[M+CH3COO]- 435.10855 222.8
[M+Na-2H]- 397.06937 189.3
[M]+ 376.09415 192.9
[M]- 376.09525 192.9
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

No patent data available for this compound.