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]+ 371.17540 189.9
[M+Na]+ 393.15734 197.6
[M-H]- 369.16084 195.6
[M+NH4]+ 388.20194 201.5
[M+K]+ 409.13128 190.3
[M+H-H2O]+ 353.16538 179.5
[M+HCOO]- 415.16632 209.0
[M+CH3COO]- 429.18197 199.2
[M+Na-2H]- 391.14279 195.8
[M]+ 370.16757 192.0
[M]- 370.16867 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.