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 197.8
[M+Na]+ 420.20464 203.4
[M-H]- 396.20814 203.4
[M+NH4]+ 415.24924 208.1
[M+K]+ 436.17858 195.4
[M+H-H2O]+ 380.21268 186.5
[M+HCOO]- 442.21362 218.0
[M+CH3COO]- 456.22927 205.9
[M+Na-2H]- 418.19009 203.5
[M]+ 397.21487 198.9
[M]- 397.21597 198.9
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.