CID 57652076

1141488-03-0

Structural Information

Molecular Formula
C15H22FN3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)N)F
InChI
InChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)11-4-5-13(17)12(16)10-11/h4-5,10H,6-9,17H2,1-3H3
InChIKey
MWJBJTYKUPKRTD-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-amino-3-fluorophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

295.16962 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17690 171.6
[M+Na]+ 318.15884 177.3
[M-H]- 294.16234 173.4
[M+NH4]+ 313.20344 183.9
[M+K]+ 334.13278 174.1
[M+H-H2O]+ 278.16688 162.1
[M+HCOO]- 340.16782 186.0
[M+CH3COO]- 354.18347 204.5
[M+Na-2H]- 316.14429 172.5
[M]+ 295.16907 167.0
[M]- 295.17017 167.0
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