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

106
Patents

291.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.201946 173.0
[M+Na]+ 314.183888 178.2
[M-H]- 290.187394 176.1
[M+NH4]+ 309.228493 185.6
[M+K]+ 330.157828 175.3
[M+H-H2O]+ 274.191930 164.4
[M+HCOO]- 336.192871 188.2
[M+CH3COO]- 350.208521 204.8
[M+Na-2H]- 312.169336 174.0
[M]+ 291.19412142 169.9
[M]- 291.19521858 169.9
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