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
4
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 161.4
[M+Na]+ 286.09844 167.8
[M-H]- 262.10194 164.9
[M+NH4]+ 281.14304 175.6
[M+K]+ 302.07238 163.0
[M+H-H2O]+ 246.10648 153.3
[M+HCOO]- 308.10742 174.1
[M+CH3COO]- 322.12307 195.6
[M+Na-2H]- 284.08389 163.9
[M]+ 263.10867 158.5
[M]- 263.10977 158.5
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.