CID 67128946

Tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C16H25N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)N)OC
InChI
InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-9-7-18(8-10-19)12-5-6-13(17)14(11-12)21-4/h5-6,11H,7-10,17H2,1-4H3
InChIKey
RADGPXZWMLVDDP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

307.1896 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.19688 175.8
[M+Na]+ 330.17882 180.8
[M-H]- 306.18232 178.8
[M+NH4]+ 325.22342 187.6
[M+K]+ 346.15276 178.5
[M+H-H2O]+ 290.18686 167.0
[M+HCOO]- 352.18780 191.1
[M+CH3COO]- 366.20345 207.0
[M+Na-2H]- 328.16427 177.0
[M]+ 307.18905 174.1
[M]- 307.19015 174.1
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