CID 50339

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

Structural Information

Molecular Formula
C22H21N3
SMILES
CCCNC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C22H21N3/c1-2-15-23-16-11-13-17(14-12-16)24-22-18-7-3-5-9-20(18)25-21-10-6-4-8-19(21)22/h3-14,23H,2,15H2,1H3,(H,24,25)
InChIKey
RUFYSDBRNWYJSQ-UHFFFAOYSA-N
Compound name
4-N-acridin-9-yl-1-N-propylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

327.17355 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.18083 176.5
[M+Na]+ 350.16277 184.3
[M-H]- 326.16627 183.4
[M+NH4]+ 345.20737 190.3
[M+K]+ 366.13671 176.7
[M+H-H2O]+ 310.17081 166.1
[M+HCOO]- 372.17175 199.5
[M+CH3COO]- 386.18740 187.0
[M+Na-2H]- 348.14822 186.5
[M]+ 327.17300 177.3
[M]- 327.17410 177.3
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.