CID 334923

Nsc342208

Structural Information

Molecular Formula
C21H15N3O4
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C21H15N3O4/c1-28-19-12-13(24(26)27)10-11-16(19)21(25)23-20-14-6-2-4-8-17(14)22-18-9-5-3-7-15(18)20/h2-12H,1H3,(H,22,23,25)
InChIKey
ZYTIIZFQADEFDA-UHFFFAOYSA-N
Compound name
N-acridin-9-yl-2-methoxy-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10626 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11354 183.7
[M+Na]+ 396.09548 190.4
[M-H]- 372.09898 191.1
[M+NH4]+ 391.14008 194.4
[M+K]+ 412.06942 181.4
[M+H-H2O]+ 356.10352 177.3
[M+HCOO]- 418.10446 206.0
[M+CH3COO]- 432.12011 215.6
[M+Na-2H]- 394.08093 193.4
[M]+ 373.10571 185.0
[M]- 373.10681 185.0
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.