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]+ 357.15975 185.4
[M+Na]+ 379.14169 193.6
[M-H]- 355.14519 191.3
[M+NH4]+ 374.18629 197.6
[M+K]+ 395.11563 186.4
[M+H-H2O]+ 339.14973 175.2
[M+HCOO]- 401.15067 204.9
[M+CH3COO]- 415.16632 195.2
[M+Na-2H]- 377.12714 191.8
[M]+ 356.15192 187.2
[M]- 356.15302 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.