CID 363263

Nsc628015

Structural Information

Molecular Formula
C18H12O4
SMILES
COC1=C2C=CCOC2=C3C(=C1)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H12O4/c1-21-14-9-13-15(18-12(14)7-4-8-22-18)17(20)11-6-3-2-5-10(11)16(13)19/h2-7,9H,8H2,1H3
InChIKey
XSXCDQSWMAEDRL-UHFFFAOYSA-N
Compound name
5-methoxy-2H-naphtho[2,3-h]chromene-7,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.07355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08083 161.4
[M+Na]+ 315.06277 171.7
[M-H]- 291.06627 168.8
[M+NH4]+ 310.10737 178.8
[M+K]+ 331.03671 168.4
[M+H-H2O]+ 275.07081 153.4
[M+HCOO]- 337.07175 179.3
[M+CH3COO]- 351.08740 174.0
[M+Na-2H]- 313.04822 169.4
[M]+ 292.07300 164.4
[M]- 292.07410 164.4
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