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
3
Annotation Hits

17
References

319
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 181.4
[M+Na]+ 362.17266 185.3
[M-H]- 338.17616 187.8
[M+NH4]+ 357.21726 195.0
[M+K]+ 378.14660 182.0
[M+H-H2O]+ 322.18070 172.5
[M+HCOO]- 384.18164 199.9
[M+CH3COO]- 398.19729 216.9
[M+Na-2H]- 360.15811 182.8
[M]+ 339.18289 181.4
[M]- 339.18399 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.