CID 3056679

Decanoic acid, 10-(p-(9-acridinylamino)phenyl)-, hydrochloride, hydrate

Structural Information

Molecular Formula
C29H32N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCCCCCCC(=O)O
InChI
InChI=1S/C29H32N2O2/c32-28(33)17-7-5-3-1-2-4-6-12-22-18-20-23(21-19-22)30-29-24-13-8-10-15-26(24)31-27-16-11-9-14-25(27)29/h8-11,13-16,18-21H,1-7,12,17H2,(H,30,31)(H,32,33)
InChIKey
OWWUVNCFQFKDSJ-UHFFFAOYSA-N
Compound name
10-[4-(acridin-9-ylamino)phenyl]decanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

440.24637 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.253646 211.2
[M+Na]+ 463.235588 215.5
[M-H]- 439.239094 215.3
[M+NH4]+ 458.280193 219.3
[M+K]+ 479.209528 207.1
[M+H-H2O]+ 423.243630 199.4
[M+HCOO]- 485.244571 228.4
[M+CH3COO]- 499.260221 217.8
[M+Na-2H]- 461.221036 215.1
[M]+ 440.24582142 214.2
[M]- 440.24691858 214.2
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.