CID 53344

75775-89-2

Structural Information

Molecular Formula
C20H13N3
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)C#N
InChI
InChI=1S/C20H13N3/c21-13-14-9-11-15(12-10-14)22-20-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)20/h1-12H,(H,22,23)
InChIKey
XZMCHEMFDIMFEK-UHFFFAOYSA-N
Compound name
4-(acridin-9-ylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

295.11096 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11824 177.7
[M+Na]+ 318.10018 195.1
[M+NH4]+ 313.14478 184.3
[M+K]+ 334.07412 180.9
[M-H]- 294.10368 177.4
[M+Na-2H]- 316.08563 185.5
[M]+ 295.11041 179.7
[M]- 295.11151 179.7
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