CID 47823

6-(p-(9-acridinylamino)phenyl)hexanoic acid, hydrochloride

Structural Information

Molecular Formula
C25H24N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCCC(=O)O
InChI
InChI=1S/C25H24N2O2/c28-24(29)13-3-1-2-8-18-14-16-19(17-15-18)26-25-20-9-4-6-11-22(20)27-23-12-7-5-10-21(23)25/h4-7,9-12,14-17H,1-3,8,13H2,(H,26,27)(H,28,29)
InChIKey
ORPWQAYMSLUIMU-UHFFFAOYSA-N
Compound name
6-[4-(acridin-9-ylamino)phenyl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.18378 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19106 195.6
[M+Na]+ 407.17300 211.9
[M+NH4]+ 402.21760 203.7
[M+K]+ 423.14694 201.3
[M-H]- 383.17650 201.6
[M+Na-2H]- 405.15845 204.5
[M]+ 384.18323 199.8
[M]- 384.18433 199.8
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.