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
1
Annotation Hits

0
References

1
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

literature stripe

Patent stripe

patents stripe