CID 46737748

107484-86-6

Structural Information

Molecular Formula
C16H23N3O2S
SMILES
CC(C)N1C(=NC(C)(C)C)S(=O)CN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C16H23N3O2S/c1-12(2)19-14(17-16(3,4)5)22(21)11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKey
DSRZHUJBAONBBX-UHFFFAOYSA-N
Compound name
2-tert-butylimino-1-oxo-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

321.1511 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.158376 176.0
[M+Na]+ 344.140318 182.9
[M-H]- 320.143824 181.2
[M+NH4]+ 339.184923 188.9
[M+K]+ 360.114258 179.0
[M+H-H2O]+ 304.148360 167.6
[M+HCOO]- 366.149301 188.5
[M+CH3COO]- 380.164951 211.8
[M+Na-2H]- 342.125766 175.4
[M]+ 321.15055142 177.0
[M]- 321.15164858 177.0
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

No patent data available for this compound.