CID 52915

9-(p-(9-acridinylamino)phenyl)nonanamide, methanesulfonate, hydrate

Structural Information

Molecular Formula
C28H31N3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCCCCCC(=O)N
InChI
InChI=1S/C28H31N3O/c29-27(32)16-6-4-2-1-3-5-11-21-17-19-22(20-18-21)30-28-23-12-7-9-14-25(23)31-26-15-10-8-13-24(26)28/h7-10,12-15,17-20H,1-6,11,16H2,(H2,29,32)(H,30,31)
InChIKey
WUPAEDWFWINJNP-UHFFFAOYSA-N
Compound name
9-[4-(acridin-9-ylamino)phenyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

425.2467 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.25398 209.7
[M+Na]+ 448.23592 224.8
[M+NH4]+ 443.28052 217.5
[M+K]+ 464.20986 213.3
[M-H]- 424.23942 216.5
[M+Na-2H]- 446.22137 218.0
[M]+ 425.24615 213.9
[M]- 425.24725 213.9
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.