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

914
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 203.2
[M+Na]+ 416.23086 210.2
[M-H]- 392.23436 205.8
[M+NH4]+ 411.27546 212.4
[M+K]+ 432.20480 205.8
[M+H-H2O]+ 376.23890 188.1
[M+HCOO]- 438.23984 213.8
[M+CH3COO]- 452.25549 232.3
[M+Na-2H]- 414.21631 199.7
[M]+ 393.24109 200.9
[M]- 393.24219 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