CID 16217924

1-boc-4-(2-methoxycarbonylphenyl)piperazine

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-9-18(10-12-19)14-8-6-5-7-13(14)15(20)22-4/h5-8H,9-12H2,1-4H3
InChIKey
JFZGCXORLWXLGH-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-methoxycarbonylphenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

320.1736 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.180876 176.5
[M+Na]+ 343.162818 181.0
[M-H]- 319.166324 179.7
[M+NH4]+ 338.207423 187.9
[M+K]+ 359.136758 179.4
[M+H-H2O]+ 303.170860 167.7
[M+HCOO]- 365.171801 190.6
[M+CH3COO]- 379.187451 205.8
[M+Na-2H]- 341.148266 177.6
[M]+ 320.17305142 176.5
[M]- 320.17414858 176.5
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