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 206.6
[M+Na]+ 448.23592 211.2
[M-H]- 424.23942 211.7
[M+NH4]+ 443.28052 215.7
[M+K]+ 464.20986 202.8
[M+H-H2O]+ 408.24396 194.8
[M+HCOO]- 470.24490 226.0
[M+CH3COO]- 484.26055 213.8
[M+Na-2H]- 446.22137 211.2
[M]+ 425.24615 208.2
[M]- 425.24725 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.