CID 294677

13h-benzo[g]indeno[1,2-b]quinoxalin-13-one

Structural Information

Molecular Formula
C19H10N2O
SMILES
C1=CC=C2C=C3C(=CC2=C1)N=C4C5=CC=CC=C5C(=O)C4=N3
InChI
InChI=1S/C19H10N2O/c22-19-14-8-4-3-7-13(14)17-18(19)21-16-10-12-6-2-1-5-11(12)9-15(16)20-17/h1-10H
InChIKey
HNIIBDFHTBZSEU-UHFFFAOYSA-N
Compound name
2,12-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

282.0793 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08658 163.1
[M+Na]+ 305.06852 176.1
[M-H]- 281.07202 168.9
[M+NH4]+ 300.11312 182.2
[M+K]+ 321.04246 168.3
[M+H-H2O]+ 265.07656 153.9
[M+HCOO]- 327.07750 182.9
[M+CH3COO]- 341.09315 175.8
[M+Na-2H]- 303.05397 172.4
[M]+ 282.07875 166.5
[M]- 282.07985 166.5
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

patents stripe