CID 3056254

Acetic acid, p-(4-ethyl-9-acridinylamino)phenyl-, hemihydrate

Structural Information

Molecular Formula
C23H20N2O2
SMILES
CCC1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)CC(=O)O
InChI
InChI=1S/C23H20N2O2/c1-2-16-6-5-8-19-22(16)25-20-9-4-3-7-18(20)23(19)24-17-12-10-15(11-13-17)14-21(26)27/h3-13H,2,14H2,1H3,(H,24,25)(H,26,27)
InChIKey
VZMHPDIMJGXKCP-UHFFFAOYSA-N
Compound name
2-[4-[(4-ethylacridin-9-yl)amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

356.15247 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.159746 185.4
[M+Na]+ 379.141688 193.6
[M-H]- 355.145194 191.3
[M+NH4]+ 374.186293 197.6
[M+K]+ 395.115628 186.4
[M+H-H2O]+ 339.149730 175.2
[M+HCOO]- 401.150671 204.9
[M+CH3COO]- 415.166321 195.2
[M+Na-2H]- 377.127136 191.8
[M]+ 356.15192142 187.2
[M]- 356.15301858 187.2
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.