CID 51852

Acetic acid, (p-((4-methyl-9-acridinyl)amino)phenyl)-, hemihydrate

Structural Information

Molecular Formula
C22H18N2O2
SMILES
CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)CC(=O)O
InChI
InChI=1S/C22H18N2O2/c1-14-5-4-7-18-21(14)24-19-8-3-2-6-17(19)22(18)23-16-11-9-15(10-12-16)13-20(25)26/h2-12H,13H2,1H3,(H,23,24)(H,25,26)
InChIKey
ZKWVDMBFBVKQBD-UHFFFAOYSA-N
Compound name
2-[4-[(4-methylacridin-9-yl)amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.13684 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 182.0
[M+Na]+ 365.12606 199.4
[M+NH4]+ 360.17066 190.7
[M+K]+ 381.10000 189.7
[M-H]- 341.12956 188.2
[M+Na-2H]- 363.11151 191.6
[M]+ 342.13629 186.5
[M]- 342.13739 186.5
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.