CID 11717074

Org-25935 free base

Structural Information

Molecular Formula
C21H25NO3
SMILES
CN(C[C@H]1CCC2=C([C@H]1C3=CC=CC=C3)C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C21H25NO3/c1-22(14-20(23)24)13-17-9-8-16-12-18(25-2)10-11-19(16)21(17)15-6-4-3-5-7-15/h3-7,10-12,17,21H,8-9,13-14H2,1-2H3,(H,23,24)/t17-,21+/m1/s1
InChIKey
UEBBYLJZCHTLEG-UTKZUKDTSA-N
Compound name
2-[[(1R,2S)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

400
Patents

339.18344 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 181.8
[M+Na]+ 362.17266 194.2
[M+NH4]+ 357.21726 189.7
[M+K]+ 378.14660 186.7
[M-H]- 338.17616 186.8
[M+Na-2H]- 360.15811 188.3
[M]+ 339.18289 184.9
[M]- 339.18399 184.9
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