CID 25324082

Tert-butyl n-{4-[2-oxo-2-(piperazin-1-yl)ethyl]phenyl}carbamate

Structural Information

Molecular Formula
C17H25N3O3
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)N2CCNCC2
InChI
InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-14-6-4-13(5-7-14)12-15(21)20-10-8-18-9-11-20/h4-7,18H,8-12H2,1-3H3,(H,19,22)
InChIKey
KTORFHRWACLQAG-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.1896 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.19688 178.2
[M+Na]+ 342.17882 180.5
[M-H]- 318.18232 179.5
[M+NH4]+ 337.22342 188.3
[M+K]+ 358.15276 177.4
[M+H-H2O]+ 302.18686 169.2
[M+HCOO]- 364.18780 191.6
[M+CH3COO]- 378.20345 205.1
[M+Na-2H]- 340.16427 179.8
[M]+ 319.18905 173.7
[M]- 319.19015 173.7
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