CID 51401

7-(p-(9-acridinylamino)phenyl)heptanamide methanesulfonate

Structural Information

Molecular Formula
C26H27N3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCCCC(=O)N
InChI
InChI=1S/C26H27N3O/c27-25(30)14-4-2-1-3-9-19-15-17-20(18-16-19)28-26-21-10-5-7-12-23(21)29-24-13-8-6-11-22(24)26/h5-8,10-13,15-18H,1-4,9,14H2,(H2,27,30)(H,28,29)
InChIKey
SSMIMZFVKKSBMJ-UHFFFAOYSA-N
Compound name
7-[4-(acridin-9-ylamino)phenyl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

397.21542 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.22270 200.6
[M+Na]+ 420.20464 216.1
[M+NH4]+ 415.24924 208.7
[M+K]+ 436.17858 205.1
[M-H]- 396.20814 207.5
[M+Na-2H]- 418.19009 209.4
[M]+ 397.21487 204.9
[M]- 397.21597 204.9
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.