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]+ 260.106976 158.9
[M+Na]+ 282.088918 171.3
[M-H]- 258.092424 165.2
[M+NH4]+ 277.133523 180.1
[M+K]+ 298.062858 164.8
[M+H-H2O]+ 242.096960 151.7
[M+HCOO]- 304.097901 179.6
[M+CH3COO]- 318.113551 172.4
[M+Na-2H]- 280.074366 164.8
[M]+ 259.09915142 162.0
[M]- 259.10024858 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.