CID 5321951

Benzosimuline

Structural Information

Molecular Formula
C20H19NO2
SMILES
CC1=CC2=C(C=C1)C(OC3=C2C(=O)N(C4=CC=CC=C43)C)(C)C
InChI
InChI=1S/C20H19NO2/c1-12-9-10-15-14(11-12)17-18(23-20(15,2)3)13-7-5-6-8-16(13)21(4)19(17)22/h5-11H,1-4H3
InChIKey
OSBHLKXCNYMURI-UHFFFAOYSA-N
Compound name
6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.14157 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14885 171.9
[M+Na]+ 328.13079 190.4
[M+NH4]+ 323.17539 183.4
[M+K]+ 344.10473 179.0
[M-H]- 304.13429 178.1
[M+Na-2H]- 326.11624 179.3
[M]+ 305.14102 177.0
[M]- 305.14212 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.