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]+ 441.25365 211.2
[M+Na]+ 463.23559 215.5
[M-H]- 439.23909 215.3
[M+NH4]+ 458.28019 219.3
[M+K]+ 479.20953 207.1
[M+H-H2O]+ 423.24363 199.4
[M+HCOO]- 485.24457 228.4
[M+CH3COO]- 499.26022 217.8
[M+Na-2H]- 461.22104 215.1
[M]+ 440.24582 214.2
[M]- 440.24692 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.