CID 47836

8-(p-(9-acridinylamino)phenyl)octanamide, methanesulfonate

Structural Information

Molecular Formula
C27H29N3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCCCCC(=O)N
InChI
InChI=1S/C27H29N3O/c28-26(31)15-5-3-1-2-4-10-20-16-18-21(19-17-20)29-27-22-11-6-8-13-24(22)30-25-14-9-7-12-23(25)27/h6-9,11-14,16-19H,1-5,10,15H2,(H2,28,31)(H,29,30)
InChIKey
XOARXPGHOZIQBS-UHFFFAOYSA-N
Compound name
8-[4-(acridin-9-ylamino)phenyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.23105 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.23833 205.1
[M+Na]+ 434.22027 220.4
[M+NH4]+ 429.26487 213.1
[M+K]+ 450.19421 209.2
[M-H]- 410.22377 212.0
[M+Na-2H]- 432.20572 213.7
[M]+ 411.23050 209.4
[M]- 411.23160 209.4
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.