CID 138040525

2243516-18-7

Structural Information

Molecular Formula
C16H22N4O3S2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)S(=N)(=O)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C16H22N4O3S2/c1-16(2,3)23-15(21)19-8-10-20(11-9-19)25(17,22)14-18-12-6-4-5-7-13(12)24-14/h4-7,17H,8-11H2,1-3H3
InChIKey
DQCTUAGXXGFJRH-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1,3-benzothiazol-2-ylsulfonimidoyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.11334 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.12062 185.4
[M+Na]+ 405.10256 194.1
[M+NH4]+ 400.14716 191.0
[M+K]+ 421.07650 188.4
[M-H]- 381.10606 185.9
[M+Na-2H]- 403.08801 189.3
[M]+ 382.11279 187.5
[M]- 382.11389 187.5
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.