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]+ 320.196876 178.2
[M+Na]+ 342.178818 180.5
[M-H]- 318.182324 179.5
[M+NH4]+ 337.223423 188.3
[M+K]+ 358.152758 177.4
[M+H-H2O]+ 302.186860 169.2
[M+HCOO]- 364.187801 191.6
[M+CH3COO]- 378.203451 205.1
[M+Na-2H]- 340.164266 179.8
[M]+ 319.18905142 173.7
[M]- 319.19014858 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