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
(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]+ 396.21694 194.2
[M+Na]+ 418.19888 201.0
[M-H]- 394.20238 205.2
[M+NH4]+ 413.24348 203.0
[M+K]+ 434.17282 198.2
[M+H-H2O]+ 378.20692 185.7
[M+HCOO]- 440.20786 217.1
[M+CH3COO]- 454.22351 228.9
[M+Na-2H]- 416.18433 195.2
[M]+ 395.20911 203.3
[M]- 395.21021 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.