CID 50337

Acridine, 9-(p-(ethylamino)anilino)-

Structural Information

Molecular Formula
C21H19N3
SMILES
CCNC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C21H19N3/c1-2-22-15-11-13-16(14-12-15)23-21-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)21/h3-14,22H,2H2,1H3,(H,23,24)
InChIKey
PCCJXCJNMRZFPH-UHFFFAOYSA-N
Compound name
4-N-acridin-9-yl-1-N-ethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

313.1579 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16518 172.0
[M+Na]+ 336.14712 180.3
[M-H]- 312.15062 179.1
[M+NH4]+ 331.19172 186.4
[M+K]+ 352.12106 172.9
[M+H-H2O]+ 296.15516 161.8
[M+HCOO]- 358.15610 195.3
[M+CH3COO]- 372.17175 183.0
[M+Na-2H]- 334.13257 182.5
[M]+ 313.15735 172.5
[M]- 313.15845 172.5
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.