CID 149800

N-benzylacridin-9-amine

Structural Information

Molecular Formula
C20H16N2
SMILES
C1=CC=C(C=C1)CNC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H16N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-13H,14H2,(H,21,22)
InChIKey
BCTFNTVNBAELQN-UHFFFAOYSA-N
Compound name
N-benzylacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

284.13135 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.138626 164.3
[M+Na]+ 307.120568 173.1
[M-H]- 283.124074 171.3
[M+NH4]+ 302.165173 180.0
[M+K]+ 323.094508 165.7
[M+H-H2O]+ 267.128610 154.5
[M+HCOO]- 329.129551 187.1
[M+CH3COO]- 343.145201 176.0
[M+Na-2H]- 305.106016 175.5
[M]+ 284.13080142 164.6
[M]- 284.13189858 164.6
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