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]+ 343.144116 180.8
[M+Na]+ 365.126058 189.5
[M-H]- 341.129564 187.0
[M+NH4]+ 360.170663 193.6
[M+K]+ 381.099998 182.6
[M+H-H2O]+ 325.134100 170.9
[M+HCOO]- 387.135041 200.7
[M+CH3COO]- 401.150691 191.1
[M+Na-2H]- 363.111506 187.8
[M]+ 342.13629142 182.3
[M]- 342.13738858 182.3
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.