CID 3034858

9(or 10)-methoxy-7h-benzimidazo(2,1-a)benz(de)isoquinolin-7-one

Structural Information

Molecular Formula
C19H12N2O2
SMILES
COC1=CC=CC2=C1N3C(=N2)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI
InChI=1S/C19H12N2O2/c1-23-15-10-4-9-14-17(15)21-18(20-14)12-7-2-5-11-6-3-8-13(16(11)12)19(21)22/h2-10H,1H3
InChIKey
PIDZDMWZNNWUGB-UHFFFAOYSA-N
Compound name
8-methoxy-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

300.08987 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09715 167.2
[M+Na]+ 323.07909 187.3
[M+NH4]+ 318.12369 177.7
[M+K]+ 339.05303 178.8
[M-H]- 299.08259 171.6
[M+Na-2H]- 321.06454 175.0
[M]+ 300.08932 171.8
[M]- 300.09042 171.8
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