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]+ 343.14412 179.9
[M+Na]+ 365.12606 187.6
[M-H]- 341.12956 185.6
[M+NH4]+ 360.17066 192.4
[M+K]+ 381.10000 180.6
[M+H-H2O]+ 325.13410 169.8
[M+HCOO]- 387.13504 199.8
[M+CH3COO]- 401.15069 189.8
[M+Na-2H]- 363.11151 187.7
[M]+ 342.13629 180.9
[M]- 342.13739 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.