CID 5386986

Nsc619100

Structural Information

Molecular Formula
C17H14O3
SMILES
COC1=C(C=CC(=C1)/C=C\2/CC3=CC=CC=C3C2=O)O
InChI
InChI=1S/C17H14O3/c1-20-16-9-11(6-7-15(16)18)8-13-10-12-4-2-3-5-14(12)17(13)19/h2-9,18H,10H2,1H3/b13-8-
InChIKey
QNLJZHBIIUWWIF-JYRVWZFOSA-N
Compound name
(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 159.1
[M+Na]+ 289.08352 168.5
[M-H]- 265.08702 166.2
[M+NH4]+ 284.12812 178.2
[M+K]+ 305.05746 163.2
[M+H-H2O]+ 249.09156 152.8
[M+HCOO]- 311.09250 181.2
[M+CH3COO]- 325.10815 194.9
[M+Na-2H]- 287.06897 161.9
[M]+ 266.09375 160.0
[M]- 266.09485 160.0
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.