CID 50341

9-(p-(hexylamino)anilino)acridine

Structural Information

Molecular Formula
C25H27N3
SMILES
CCCCCCNC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C25H27N3/c1-2-3-4-9-18-26-19-14-16-20(17-15-19)27-25-21-10-5-7-12-23(21)28-24-13-8-6-11-22(24)25/h5-8,10-17,26H,2-4,9,18H2,1H3,(H,27,28)
InChIKey
JATOTVFVQYRPDU-UHFFFAOYSA-N
Compound name
4-N-acridin-9-yl-1-N-hexylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

369.2205 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.227776 189.9
[M+Na]+ 392.209718 196.2
[M-H]- 368.213224 196.1
[M+NH4]+ 387.254323 201.9
[M+K]+ 408.183658 188.0
[M+H-H2O]+ 352.217760 178.7
[M+HCOO]- 414.218701 211.7
[M+CH3COO]- 428.234351 199.0
[M+Na-2H]- 390.195166 198.2
[M]+ 369.21995142 191.5
[M]- 369.22104858 191.5
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.