CID 59454434

Tert-butyl 4-(4-carbamoylphenyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C16H23N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)13-6-4-12(5-7-13)14(17)20/h4-7H,8-11H2,1-3H3,(H2,17,20)
InChIKey
WYSDUCDBYVUUOA-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-carbamoylphenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

305.17395 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18123 173.8
[M+Na]+ 328.16317 177.9
[M-H]- 304.16667 176.6
[M+NH4]+ 323.20777 185.2
[M+K]+ 344.13711 175.6
[M+H-H2O]+ 288.17121 165.0
[M+HCOO]- 350.17215 188.4
[M+CH3COO]- 364.18780 205.9
[M+Na-2H]- 326.14862 174.7
[M]+ 305.17340 170.4
[M]- 305.17450 170.4
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