CID 121215471

1824825-99-1

Structural Information

Molecular Formula
C12H23N3O2S
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=NC)SC
InChI
InChI=1S/C12H23N3O2S/c1-12(2,3)17-11(16)15-8-6-14(7-9-15)10(13-4)18-5/h6-9H2,1-5H3
InChIKey
PPQBDFXUHCNOQC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(N-methyl-C-methylsulfanylcarbonimidoyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1511 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15838 166.3
[M+Na]+ 296.14032 170.7
[M-H]- 272.14382 167.7
[M+NH4]+ 291.18492 181.1
[M+K]+ 312.11426 169.6
[M+H-H2O]+ 256.14836 158.8
[M+HCOO]- 318.14930 177.5
[M+CH3COO]- 332.16495 199.5
[M+Na-2H]- 294.12577 165.8
[M]+ 273.15055 167.0
[M]- 273.15165 167.0
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.