CID 129863

123016-21-7

Structural Information

Molecular Formula
C23H19NO3
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O
InChI
InChI=1S/C23H19NO3/c1-15(23(25)26)17-6-7-19-13-21(11-9-18(19)12-17)27-14-20-10-8-16-4-2-3-5-22(16)24-20/h2-13,15H,14H2,1H3,(H,25,26)/t15-/m0/s1
InChIKey
QWFAMXAVDCZEBZ-HNNXBMFYSA-N
Compound name
(2S)-2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

22
Patents

357.1365 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14378 184.9
[M+Na]+ 380.12572 202.1
[M+NH4]+ 375.17032 193.3
[M+K]+ 396.09966 193.1
[M-H]- 356.12922 190.2
[M+Na-2H]- 378.11117 194.1
[M]+ 357.13595 189.1
[M]- 357.13705 189.1
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