CID 58315541

Tert-butyl 4-[4-(methylamino)phenyl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-9-18(10-12-19)14-7-5-13(17-4)6-8-14/h5-8,17H,9-12H2,1-4H3
InChIKey
PHUQFHPZFFIKQQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[4-(methylamino)phenyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

291.19467 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.201946 172.3
[M+Na]+ 314.183888 176.5
[M-H]- 290.187394 175.4
[M+NH4]+ 309.228493 184.8
[M+K]+ 330.157828 173.9
[M+H-H2O]+ 274.191930 163.3
[M+HCOO]- 336.192871 188.1
[M+CH3COO]- 350.208521 204.2
[M+Na-2H]- 312.169336 175.1
[M]+ 291.19412142 169.7
[M]- 291.19521858 169.7
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