CID 63789383

Tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1C2=CC=CC=C2)C
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-10-17(4)12-14(18)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKey
FVCLNNARLLNMJR-UHFFFAOYSA-N
Compound name
tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 168.2
[M+Na]+ 299.17300 173.3
[M-H]- 275.17650 171.4
[M+NH4]+ 294.21760 181.7
[M+K]+ 315.14694 170.8
[M+H-H2O]+ 259.18104 159.6
[M+HCOO]- 321.18198 183.0
[M+CH3COO]- 335.19763 199.2
[M+Na-2H]- 297.15845 170.5
[M]+ 276.18323 166.4
[M]- 276.18433 166.4
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

No patent data available for this compound.