CID 3000815

9a,13a-dihydro-9h-benzo[b]pyrido[4,3,2-mn]acridin-9-one

Structural Information

Molecular Formula
C19H12N2O
SMILES
C1=CC=C2C(=C1)C3=C4C(=NC=C3)C5C=CC=CC5C(=O)C4=N2
InChI
InChI=1S/C19H12N2O/c22-19-14-7-2-1-6-13(14)17-16-12(9-10-20-17)11-5-3-4-8-15(11)21-18(16)19/h1-10,13-14H
InChIKey
IQLWSHFDZBIIER-UHFFFAOYSA-N
Compound name
2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,15,17-nonaen-20-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.09497 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10225 163.7
[M+Na]+ 307.08419 174.3
[M-H]- 283.08769 167.5
[M+NH4]+ 302.12879 180.6
[M+K]+ 323.05813 166.9
[M+H-H2O]+ 267.09223 152.9
[M+HCOO]- 329.09317 179.6
[M+CH3COO]- 343.10882 174.8
[M+Na-2H]- 305.06964 174.7
[M]+ 284.09442 164.8
[M]- 284.09552 164.8
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.