CID 155820239

2470435-15-3

Structural Information

Molecular Formula
C15H22N2O3S
SMILES
CC(C)(C)OC(=O)N1CCS(=N)(=O)CC1C2=CC=CC=C2
InChI
InChI=1S/C15H22N2O3S/c1-15(2,3)20-14(18)17-9-10-21(16,19)11-13(17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3
InChIKey
YUWUKGZBBXWWJN-UHFFFAOYSA-N
Compound name
tert-butyl 1-imino-1-oxo-3-phenyl-1,4-thiazinane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1351 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14238 170.5
[M+Na]+ 333.12432 176.4
[M-H]- 309.12782 175.3
[M+NH4]+ 328.16892 186.0
[M+K]+ 349.09826 173.1
[M+H-H2O]+ 293.13236 163.6
[M+HCOO]- 355.13330 183.5
[M+CH3COO]- 369.14895 202.3
[M+Na-2H]- 331.10977 173.1
[M]+ 310.13455 169.8
[M]- 310.13565 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.