CID 18772482

Cyenopyrafen

Structural Information

Molecular Formula
C24H31N3O2
SMILES
CC1=C(N(N=C1C)C)/C(=C(\C#N)/C2=CC=C(C=C2)C(C)(C)C)/OC(=O)C(C)(C)C
InChI
InChI=1S/C24H31N3O2/c1-15-16(2)26-27(9)20(15)21(29-22(28)24(6,7)8)19(14-25)17-10-12-18(13-11-17)23(3,4)5/h10-13H,1-9H3/b21-19-
InChIKey
APJLTUBHYCOZJI-VZCXRCSSSA-N
Compound name
[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,4,5-trimethylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

13803
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 192.6
[M+Na]+ 416.23086 202.2
[M+NH4]+ 411.27546 193.7
[M+K]+ 432.20480 196.8
[M-H]- 392.23436 185.3
[M+Na-2H]- 414.21631 193.6
[M]+ 393.24109 191.0
[M]- 393.24219 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe