CID 45925741

4-(4-amino-2,6-difluorophenyl)piperazine, n1-boc protected

Structural Information

Molecular Formula
C15H21F2N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2F)N)F
InChI
InChI=1S/C15H21F2N3O2/c1-15(2,3)22-14(21)20-6-4-19(5-7-20)13-11(16)8-10(18)9-12(13)17/h8-9H,4-7,18H2,1-3H3
InChIKey
SKNCMVAICXALKM-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-amino-2,6-difluorophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

313.1602 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16748 174.8
[M+Na]+ 336.14942 181.5
[M-H]- 312.15292 175.6
[M+NH4]+ 331.19402 186.6
[M+K]+ 352.12336 177.9
[M+H-H2O]+ 296.15746 164.6
[M+HCOO]- 358.15840 188.2
[M+CH3COO]- 372.17405 208.5
[M+Na-2H]- 334.13487 174.4
[M]+ 313.15965 169.5
[M]- 313.16075 169.5
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

patents stripe