CID 128355

Sr 2640

Structural Information

Molecular Formula
C23H18N2O3
SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)NC4=CC=CC=C4C(=O)O
InChI
InChI=1S/C23H18N2O3/c26-23(27)20-9-2-4-11-22(20)24-17-7-5-8-19(14-17)28-15-18-13-12-16-6-1-3-10-21(16)25-18/h1-14,24H,15H2,(H,26,27)
InChIKey
LMPZHLXYBWGGNT-UHFFFAOYSA-N
Compound name
2-[3-(quinolin-2-ylmethoxy)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

21
Patents

370.13174 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13902 187.0
[M+Na]+ 393.12096 193.0
[M-H]- 369.12446 194.6
[M+NH4]+ 388.16556 196.7
[M+K]+ 409.09490 186.8
[M+H-H2O]+ 353.12900 175.8
[M+HCOO]- 415.12994 206.9
[M+CH3COO]- 429.14559 196.1
[M+Na-2H]- 391.10641 192.7
[M]+ 370.13119 186.9
[M]- 370.13229 186.9
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

patents stripe