CID 165831683

Tert-butyl 4-(4-aminobenzenesulfonamido)-4-(trifluoromethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C17H24F3N3O4S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H24F3N3O4S/c1-15(2,3)27-14(24)23-10-8-16(9-11-23,17(18,19)20)22-28(25,26)13-6-4-12(21)5-7-13/h4-7,22H,8-11,21H2,1-3H3
InChIKey
LHWDLQQHRXHMGZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(4-aminophenyl)sulfonylamino]-4-(trifluoromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.14395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.15123 192.4
[M+Na]+ 446.13317 196.7
[M-H]- 422.13667 192.1
[M+NH4]+ 441.17777 202.2
[M+K]+ 462.10711 193.5
[M+H-H2O]+ 406.14121 183.2
[M+HCOO]- 468.14215 198.9
[M+CH3COO]- 482.15780 223.4
[M+Na-2H]- 444.11862 195.5
[M]+ 423.14340 187.5
[M]- 423.14450 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.