CID 74603314

99473-12-8

Structural Information

Molecular Formula
C27H33NO7
SMILES
CC(C)(COC1C(C(C(C(O1)C(=O)O)O)O)O)C#CC=CCN(C)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C27H33NO7/c1-27(2,17-34-26-23(31)21(29)22(30)24(35-26)25(32)33)14-7-4-8-15-28(3)16-19-12-9-11-18-10-5-6-13-20(18)19/h4-6,8-13,21-24,26,29-31H,15-17H2,1-3H3,(H,32,33)
InChIKey
XWKOYVRIRYSRSH-UHFFFAOYSA-N
Compound name
6-[2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.2257 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.23298 215.0
[M+Na]+ 506.21492 222.4
[M+NH4]+ 501.25952 214.5
[M+K]+ 522.18886 215.6
[M-H]- 482.21842 208.2
[M+Na-2H]- 504.20037 211.8
[M]+ 483.22515 212.9
[M]- 483.22625 212.9
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.