CID 47824

Brn 0446331

Structural Information

Molecular Formula
C26H26N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCCCC(=O)O
InChI
InChI=1S/C26H26N2O2/c29-25(30)14-4-2-1-3-9-19-15-17-20(18-16-19)27-26-21-10-5-7-12-23(21)28-24-13-8-6-11-22(24)26/h5-8,10-13,15-18H,1-4,9,14H2,(H,27,28)(H,29,30)
InChIKey
WWCUTIAJRCVZQH-UHFFFAOYSA-N
Compound name
7-[4-(acridin-9-ylamino)phenyl]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

398.19943 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20671 200.2
[M+Na]+ 421.18865 216.3
[M+NH4]+ 416.23325 208.1
[M+K]+ 437.16259 205.5
[M-H]- 397.19215 206.1
[M+Na-2H]- 419.17410 208.8
[M]+ 398.19888 204.3
[M]- 398.19998 204.3
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.