CID 364984

Nsc631885

Structural Information

Molecular Formula
C18H13NO
SMILES
CC1=CC2=NC(=C3C(=C2C=C1)C4=CC=CC=C4C3=O)C
InChI
InChI=1S/C18H13NO/c1-10-7-8-14-15(9-10)19-11(2)16-17(14)12-5-3-4-6-13(12)18(16)20/h3-9H,1-2H3
InChIKey
VVXSPYJVGGYOHT-UHFFFAOYSA-N
Compound name
3,6-dimethylindeno[2,1-c]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0997 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10698 158.9
[M+Na]+ 282.08892 171.3
[M-H]- 258.09242 165.2
[M+NH4]+ 277.13352 180.1
[M+K]+ 298.06286 164.8
[M+H-H2O]+ 242.09696 151.7
[M+HCOO]- 304.09790 179.6
[M+CH3COO]- 318.11355 172.4
[M+Na-2H]- 280.07437 164.8
[M]+ 259.09915 162.0
[M]- 259.10025 162.0
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.