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]+ 385.191056 193.4
[M+Na]+ 407.172998 199.7
[M-H]- 383.176504 198.5
[M+NH4]+ 402.217603 204.1
[M+K]+ 423.146938 192.1
[M+H-H2O]+ 367.181040 182.6
[M+HCOO]- 429.181981 212.2
[M+CH3COO]- 443.197631 201.9
[M+Na-2H]- 405.158446 199.6
[M]+ 384.18323142 195.3
[M]- 384.18432858 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.