CID 94681

Sd 58231

Structural Information

Molecular Formula
C26H30N2O4
SMILES
CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=NOCC(C)(C)C)C
InChI
InChI=1S/C26H30N2O4/c1-25(2,3)17-30-28-16-21-23(26(21,4)5)24(29)32-22(15-27)18-10-9-13-20(14-18)31-19-11-7-6-8-12-19/h6-14,16,21-23H,17H2,1-5H3
InChIKey
CFDLLXHQMCSMQV-UHFFFAOYSA-N
Compound name
[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dimethylpropoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.22055 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.227826 205.4
[M+Na]+ 457.209768 218.1
[M-H]- 433.213274 216.0
[M+NH4]+ 452.254373 213.5
[M+K]+ 473.183708 210.5
[M+H-H2O]+ 417.217810 193.9
[M+HCOO]- 479.218751 224.1
[M+CH3COO]- 493.234401 241.7
[M+Na-2H]- 455.195216 207.3
[M]+ 434.22000142 210.1
[M]- 434.22109858 210.1
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.