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

301
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

literature stripe

Patent stripe

patents stripe