CID 9577220

Sd 56417

Structural Information

Molecular Formula
C24H29NO4
SMILES
CC(C)CO/N=C/[C@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C24H29NO4/c1-17(2)15-28-25-14-21-22(24(21,3)4)23(26)27-16-18-9-8-12-20(13-18)29-19-10-6-5-7-11-19/h5-14,17,21-22H,15-16H2,1-4H3/b25-14+/t21-,22-/m0/s1
InChIKey
RDXYSYFGUCAIKR-WXHUKZBHSA-N
Compound name
trans-(3-phenoxyphenyl)methyl (1R,3S)-2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.20966 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.216936 194.2
[M+Na]+ 418.198878 201.0
[M-H]- 394.202384 205.2
[M+NH4]+ 413.243483 203.0
[M+K]+ 434.172818 198.2
[M+H-H2O]+ 378.206920 185.7
[M+HCOO]- 440.207861 217.1
[M+CH3COO]- 454.223511 228.9
[M+Na-2H]- 416.184326 195.2
[M]+ 395.20911142 203.3
[M]- 395.21020858 203.3
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.