CID 3050294

Propionic acid, 3-(p-(4-ethyl-9-acridinylamino)phenyl)-, hydrochloride

Structural Information

Molecular Formula
C24H22N2O2
SMILES
CCC1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)CCC(=O)O
InChI
InChI=1S/C24H22N2O2/c1-2-17-6-5-8-20-23(17)26-21-9-4-3-7-19(21)24(20)25-18-13-10-16(11-14-18)12-15-22(27)28/h3-11,13-14H,2,12,15H2,1H3,(H,25,26)(H,27,28)
InChIKey
DSBQOPCMNHPVRD-UHFFFAOYSA-N
Compound name
3-[4-[(4-ethylacridin-9-yl)amino]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

370.16812 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.175396 189.9
[M+Na]+ 393.157338 197.6
[M-H]- 369.160844 195.6
[M+NH4]+ 388.201943 201.5
[M+K]+ 409.131278 190.3
[M+H-H2O]+ 353.165380 179.5
[M+HCOO]- 415.166321 209.0
[M+CH3COO]- 429.181971 199.2
[M+Na-2H]- 391.142786 195.8
[M]+ 370.16757142 192.0
[M]- 370.16866858 192.0
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.