CID 54595725

Tert-butyl 4-(2-sulfamoylethyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C11H23N3O4S
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCS(=O)(=O)N
InChI
InChI=1S/C11H23N3O4S/c1-11(2,3)18-10(15)14-6-4-13(5-7-14)8-9-19(12,16)17/h4-9H2,1-3H3,(H2,12,16,17)
InChIKey
ICBKYAZVWTXCMO-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-sulfamoylethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

293.14093 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14821 168.1
[M+Na]+ 316.13015 172.6
[M-H]- 292.13365 167.6
[M+NH4]+ 311.17475 180.7
[M+K]+ 332.10409 170.9
[M+H-H2O]+ 276.13819 161.3
[M+HCOO]- 338.13913 177.5
[M+CH3COO]- 352.15478 198.5
[M+Na-2H]- 314.11560 169.3
[M]+ 293.14038 168.0
[M]- 293.14148 168.0
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

patents stripe