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]+ 277.191056 168.2
[M+Na]+ 299.172998 173.3
[M-H]- 275.176504 171.4
[M+NH4]+ 294.217603 181.7
[M+K]+ 315.146938 170.8
[M+H-H2O]+ 259.181040 159.6
[M+HCOO]- 321.181981 183.0
[M+CH3COO]- 335.197631 199.2
[M+Na-2H]- 297.158446 170.5
[M]+ 276.18323142 166.4
[M]- 276.18432858 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.