CID 145440850

Tert-butyl 4-(4-aminophenyl)-2-(difluoromethyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C16H23F2N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1C(F)F)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H23F2N3O2/c1-16(2,3)23-15(22)21-9-8-20(10-13(21)14(17)18)12-6-4-11(19)5-7-12/h4-7,13-14H,8-10,19H2,1-3H3
InChIKey
ZUGXHDXIBYJKLU-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-aminophenyl)-2-(difluoromethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

327.17584 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.18312 178.4
[M+Na]+ 350.16506 183.4
[M-H]- 326.16856 178.7
[M+NH4]+ 345.20966 189.2
[M+K]+ 366.13900 180.1
[M+H-H2O]+ 310.17310 168.0
[M+HCOO]- 372.17404 190.5
[M+CH3COO]- 386.18969 211.1
[M+Na-2H]- 348.15051 177.1
[M]+ 327.17529 172.4
[M]- 327.17639 172.4
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