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 167.9
[M+Na]+ 323.07909 182.3
[M-H]- 299.08259 173.8
[M+NH4]+ 318.12369 186.8
[M+K]+ 339.05303 175.4
[M+H-H2O]+ 283.08713 158.7
[M+HCOO]- 345.08807 189.1
[M+CH3COO]- 359.10372 181.1
[M+Na-2H]- 321.06454 177.9
[M]+ 300.08932 176.3
[M]- 300.09042 176.3
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