CID 364124

Nsc629793

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1CCC2=C(C3=C(C=C2C1)C(=O)C4=CC=CC=C4N3)C(=O)N
InChI
InChI=1S/C18H16N2O2/c19-18(22)15-11-6-2-1-5-10(11)9-13-16(15)20-14-8-4-3-7-12(14)17(13)21/h3-4,7-9H,1-2,5-6H2,(H2,19,22)(H,20,21)
InChIKey
CMJZMZAWAFZVEH-UHFFFAOYSA-N
Compound name
12-oxo-7,8,9,10-tetrahydro-5H-benzo[b]acridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 163.9
[M+Na]+ 315.11042 172.7
[M-H]- 291.11392 167.1
[M+NH4]+ 310.15502 179.8
[M+K]+ 331.08436 166.0
[M+H-H2O]+ 275.11846 155.6
[M+HCOO]- 337.11940 180.3
[M+CH3COO]- 351.13505 174.4
[M+Na-2H]- 313.09587 170.8
[M]+ 292.12065 161.1
[M]- 292.12175 161.1
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

No patent data available for this compound.