CID 139598142

Buprofezin metabolite bf19

Structural Information

Molecular Formula
C13H17N3OS
SMILES
CC(C)(C)N=C1NC(=O)N(CS1)C2=CC=CC=C2
InChI
InChI=1S/C13H17N3OS/c1-13(2,3)15-11-14-12(17)16(9-18-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,15,17)
InChIKey
ZAMPABOHKGLFTC-UHFFFAOYSA-N
Compound name
2-tert-butylimino-5-phenyl-1,3,5-thiadiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

263.10922 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11650 161.1
[M+Na]+ 286.09844 172.3
[M+NH4]+ 281.14304 168.6
[M+K]+ 302.07238 164.2
[M-H]- 262.10194 163.9
[M+Na-2H]- 284.08389 167.3
[M]+ 263.10867 163.8
[M]- 263.10977 163.8
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

No patent data available for this compound.