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

58
Patents

341.14093 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.148206 179.5
[M+Na]+ 364.130148 184.4
[M-H]- 340.133654 182.3
[M+NH4]+ 359.174753 189.9
[M+K]+ 380.104088 181.4
[M+H-H2O]+ 324.138190 171.5
[M+HCOO]- 386.139131 189.1
[M+CH3COO]- 400.154781 207.6
[M+Na-2H]- 362.115596 181.0
[M]+ 341.14038142 178.6
[M]- 341.14147858 178.6
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