CID 335129

Nsc343393

Structural Information

Molecular Formula
C21H19NO2
SMILES
CC(C)CC1=NC2=C(C=C(C=C2)OC)C3=C1C(=O)C4=CC=CC=C43
InChI
InChI=1S/C21H19NO2/c1-12(2)10-18-20-19(14-6-4-5-7-15(14)21(20)23)16-11-13(24-3)8-9-17(16)22-18/h4-9,11-12H,10H2,1-3H3
InChIKey
MLEOFCGEPUHAJW-UHFFFAOYSA-N
Compound name
2-methoxy-6-(2-methylpropyl)indeno[2,1-c]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.14157 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14885 176.8
[M+Na]+ 340.13079 187.0
[M-H]- 316.13429 182.4
[M+NH4]+ 335.17539 195.2
[M+K]+ 356.10473 181.1
[M+H-H2O]+ 300.13883 168.9
[M+HCOO]- 362.13977 195.3
[M+CH3COO]- 376.15542 188.5
[M+Na-2H]- 338.11624 179.8
[M]+ 317.14102 181.5
[M]- 317.14212 181.5
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

No patent data available for this compound.