CID 10617209

173951-84-3

Structural Information

Molecular Formula
C15H23N3O4S
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H23N3O4S/c1-15(2,3)22-14(19)17-8-10-18(11-9-17)23(20,21)13-6-4-12(16)5-7-13/h4-7H,8-11,16H2,1-3H3
InChIKey
DHRKPOXBSFDUFA-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-aminophenyl)sulfonylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

341.14093 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14821 177.6
[M+Na]+ 364.13015 185.7
[M+NH4]+ 359.17475 182.1
[M+K]+ 380.10409 181.3
[M-H]- 340.13365 177.4
[M+Na-2H]- 362.11560 181.3
[M]+ 341.14038 178.8
[M]- 341.14148 178.8
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

patents stripe