CID 149252

3-(p-(9-acridinylamino)phenyl)propionic acid, hydrochloride, sesquihydrate

Structural Information

Molecular Formula
C22H18N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCC(=O)O
InChI
InChI=1S/C22H18N2O2/c25-21(26)14-11-15-9-12-16(13-10-15)23-22-17-5-1-3-7-19(17)24-20-8-4-2-6-18(20)22/h1-10,12-13H,11,14H2,(H,23,24)(H,25,26)
InChIKey
OTNZBINKURMOIR-UHFFFAOYSA-N
Compound name
3-[4-(acridin-9-ylamino)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

342.13684 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.144116 179.9
[M+Na]+ 365.126058 187.6
[M-H]- 341.129564 185.6
[M+NH4]+ 360.170663 192.4
[M+K]+ 381.099998 180.6
[M+H-H2O]+ 325.134100 169.8
[M+HCOO]- 387.135041 199.8
[M+CH3COO]- 401.150691 189.8
[M+Na-2H]- 363.111506 187.7
[M]+ 342.13629142 180.9
[M]- 342.13738858 180.9
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.