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]+ 322.15838 176.0
[M+Na]+ 344.14032 182.9
[M-H]- 320.14382 181.2
[M+NH4]+ 339.18492 188.9
[M+K]+ 360.11426 179.0
[M+H-H2O]+ 304.14836 167.6
[M+HCOO]- 366.14930 188.5
[M+CH3COO]- 380.16495 211.8
[M+Na-2H]- 342.12577 175.4
[M]+ 321.15055 177.0
[M]- 321.15165 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.