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 193.4
[M+Na]+ 407.17300 199.7
[M-H]- 383.17650 198.5
[M+NH4]+ 402.21760 204.1
[M+K]+ 423.14694 192.1
[M+H-H2O]+ 367.18104 182.6
[M+HCOO]- 429.18198 212.2
[M+CH3COO]- 443.19763 201.9
[M+Na-2H]- 405.15845 199.6
[M]+ 384.18323 195.3
[M]- 384.18433 195.3
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.