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 202.2
[M+Na]+ 434.22027 207.3
[M-H]- 410.22377 207.6
[M+NH4]+ 429.26487 211.9
[M+K]+ 450.19421 199.2
[M+H-H2O]+ 394.22831 190.7
[M+HCOO]- 456.22925 222.0
[M+CH3COO]- 470.24490 209.9
[M+Na-2H]- 432.20572 207.3
[M]+ 411.23050 203.6
[M]- 411.23160 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.