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

238
Patents

393.24164 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.248916 203.2
[M+Na]+ 416.230858 210.2
[M-H]- 392.234364 205.8
[M+NH4]+ 411.275463 212.4
[M+K]+ 432.204798 205.8
[M+H-H2O]+ 376.238900 188.1
[M+HCOO]- 438.239841 213.8
[M+CH3COO]- 452.255491 232.3
[M+Na-2H]- 414.216306 199.7
[M]+ 393.24109142 200.9
[M]- 393.24218858 200.9
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