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]+ 426.253976 206.6
[M+Na]+ 448.235918 211.2
[M-H]- 424.239424 211.7
[M+NH4]+ 443.280523 215.7
[M+K]+ 464.209858 202.8
[M+H-H2O]+ 408.243960 194.8
[M+HCOO]- 470.244901 226.0
[M+CH3COO]- 484.260551 213.8
[M+Na-2H]- 446.221366 211.2
[M]+ 425.24615142 208.2
[M]- 425.24724858 208.2
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.