CID 90185933

Cyetpyrafen

Structural Information

Molecular Formula
C24H31N3O2
SMILES
CCN1C(=CC(=N1)C)/C(=C(/C#N)\C2=CC=C(C=C2)C(C)(C)C)/OC(=O)C(C)(C)C
InChI
InChI=1S/C24H31N3O2/c1-9-27-20(14-16(2)26-27)21(29-22(28)24(6,7)8)19(15-25)17-10-12-18(13-11-17)23(3,4)5/h10-14H,9H2,1-8H3/b21-19+
InChIKey
NWXGXRHWQUMXHA-XUTLUUPISA-N
Compound name
[(Z)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-5-methylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

913
Patents

393.24164 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.24892 193.5
[M+Na]+ 416.23086 202.7
[M+NH4]+ 411.27546 194.5
[M+K]+ 432.20480 197.1
[M-H]- 392.23436 186.1
[M+Na-2H]- 414.21631 194.6
[M]+ 393.24109 191.8
[M]- 393.24219 191.8
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

patents stripe