CID 42806

58658-19-8

Structural Information

Molecular Formula
C20H15N3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C20H15N3O/c21-20(24)13-9-11-14(12-10-13)22-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1-12H,(H2,21,24)(H,22,23)
InChIKey
QTWNXHPBFYHFQH-UHFFFAOYSA-N
Compound name
4-(acridin-9-ylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

313.12152 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.128796 171.0
[M+Na]+ 336.110738 179.5
[M-H]- 312.114244 177.9
[M+NH4]+ 331.155343 184.9
[M+K]+ 352.084678 172.7
[M+H-H2O]+ 296.118780 161.1
[M+HCOO]- 358.119721 193.4
[M+CH3COO]- 372.135371 181.9
[M+Na-2H]- 334.096186 180.0
[M]+ 313.12097142 170.4
[M]- 313.12206858 170.4
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.