CID 95307

5394-35-4

Structural Information

Molecular Formula
C23H18N2O3
SMILES
C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=C4C(=O)O
InChI
InChI=1S/C23H18N2O3/c26-22-18(13-12-16-9-6-14-24-21(16)22)20(15-7-2-1-3-8-15)25-19-11-5-4-10-17(19)23(27)28/h1-14,20,25-26H,(H,27,28)
InChIKey
NISNWVZYKYOKOX-UHFFFAOYSA-N
Compound name
2-[[(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

370.13174 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13902 186.4
[M+Na]+ 393.12096 191.6
[M-H]- 369.12446 192.8
[M+NH4]+ 388.16556 195.3
[M+K]+ 409.09490 185.4
[M+H-H2O]+ 353.12900 175.9
[M+HCOO]- 415.12994 203.8
[M+CH3COO]- 429.14559 194.8
[M+Na-2H]- 391.10641 190.8
[M]+ 370.13119 184.1
[M]- 370.13229 184.1
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

patents stripe