CID 389548

Nsc685853

Structural Information

Molecular Formula
C17H15NO3
SMILES
COC1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC(=C3)OC)N
InChI
InChI=1S/C17H15NO3/c1-20-11-5-3-10(4-6-11)15-16(18)14-9-12(21-2)7-8-13(14)17(15)19/h3-9H,18H2,1-2H3
InChIKey
SSXNAVNUUDFWTL-UHFFFAOYSA-N
Compound name
3-amino-5-methoxy-2-(4-methoxyphenyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 162.8
[M+Na]+ 304.09442 173.2
[M-H]- 280.09792 171.4
[M+NH4]+ 299.13902 181.7
[M+K]+ 320.06836 169.0
[M+H-H2O]+ 264.10246 155.9
[M+HCOO]- 326.10340 188.0
[M+CH3COO]- 340.11905 204.1
[M+Na-2H]- 302.07987 165.8
[M]+ 281.10465 166.5
[M]- 281.10575 166.5
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