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]+ 370.22778 189.9
[M+Na]+ 392.20972 196.2
[M-H]- 368.21322 196.1
[M+NH4]+ 387.25432 201.9
[M+K]+ 408.18366 188.0
[M+H-H2O]+ 352.21776 178.7
[M+HCOO]- 414.21870 211.7
[M+CH3COO]- 428.23435 199.0
[M+Na-2H]- 390.19517 198.2
[M]+ 369.21995 191.5
[M]- 369.22105 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.