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]+ 292.20195 172.3
[M+Na]+ 314.18389 176.5
[M-H]- 290.18739 175.4
[M+NH4]+ 309.22849 184.8
[M+K]+ 330.15783 173.9
[M+H-H2O]+ 274.19193 163.3
[M+HCOO]- 336.19287 188.1
[M+CH3COO]- 350.20852 204.2
[M+Na-2H]- 312.16934 175.1
[M]+ 291.19412 169.7
[M]- 291.19522 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