CID 367152

Nsc636620

Structural Information

Molecular Formula
C17H12O3
SMILES
COC1=CC=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H12O3/c1-20-12-6-4-5-11(9-12)10-15-16(18)13-7-2-3-8-14(13)17(15)19/h2-10H,1H3
InChIKey
OGYPVNBCTJGZFF-UHFFFAOYSA-N
Compound name
2-[(3-methoxyphenyl)methylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

264.07864 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08592 157.6
[M+Na]+ 287.06786 167.6
[M-H]- 263.07136 166.0
[M+NH4]+ 282.11246 177.3
[M+K]+ 303.04180 162.6
[M+H-H2O]+ 247.07590 151.0
[M+HCOO]- 309.07684 181.3
[M+CH3COO]- 323.09249 196.6
[M+Na-2H]- 285.05331 160.8
[M]+ 264.07809 159.5
[M]- 264.07919 159.5
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