CID 22336109

361345-37-1

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC1=C(C=CC(=C1)N)N2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H25N3O2/c1-12-11-13(17)5-6-14(12)18-7-9-19(10-8-18)15(20)21-16(2,3)4/h5-6,11H,7-10,17H2,1-4H3
InChIKey
QSSVQUXXRYNJIZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-amino-2-methylphenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

291.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 171.3
[M+Na]+ 314.18389 181.6
[M+NH4]+ 309.22849 177.3
[M+K]+ 330.15783 176.8
[M-H]- 290.18739 173.2
[M+Na-2H]- 312.16934 176.0
[M]+ 291.19412 173.1
[M]- 291.19522 173.1
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