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]+ 435.22783 205.4
[M+Na]+ 457.20977 218.1
[M-H]- 433.21327 216.0
[M+NH4]+ 452.25437 213.5
[M+K]+ 473.18371 210.5
[M+H-H2O]+ 417.21781 193.9
[M+HCOO]- 479.21875 224.1
[M+CH3COO]- 493.23440 241.7
[M+Na-2H]- 455.19522 207.3
[M]+ 434.22000 210.1
[M]- 434.22110 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.