CID 50367

Buprofezin

Structural Information

Molecular Formula
C16H23N3OS
SMILES
CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKey
PRLVTUNWOQKEAI-UHFFFAOYSA-N
Compound name
2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

144
References

40949
Patents

305.1562 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.16348 173.4
[M+Na]+ 328.14542 179.4
[M-H]- 304.14892 178.2
[M+NH4]+ 323.19002 186.9
[M+K]+ 344.11936 175.5
[M+H-H2O]+ 288.15346 164.8
[M+HCOO]- 350.15440 185.6
[M+CH3COO]- 364.17005 209.2
[M+Na-2H]- 326.13087 173.3
[M]+ 305.15565 173.3
[M]- 305.15675 173.3
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