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]+ 412.238326 202.2
[M+Na]+ 434.220268 207.3
[M-H]- 410.223774 207.6
[M+NH4]+ 429.264873 211.9
[M+K]+ 450.194208 199.2
[M+H-H2O]+ 394.228310 190.7
[M+HCOO]- 456.229251 222.0
[M+CH3COO]- 470.244901 209.9
[M+Na-2H]- 432.205716 207.3
[M]+ 411.23050142 203.6
[M]- 411.23159858 203.6
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.