CID 139942795

2694744-31-3

Structural Information

Molecular Formula
C18H27N3O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)21-11-9-20(10-12-21)14-19-16(22)24-13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,22)
InChIKey
LELIDMAYQSEIFG-UHFFFAOYSA-N
Compound name
tert-butyl 4-(phenylmethoxycarbonylaminomethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.20016 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.20744 183.6
[M+Na]+ 372.18938 191.7
[M+NH4]+ 367.23398 187.8
[M+K]+ 388.16332 187.8
[M-H]- 348.19288 184.0
[M+Na-2H]- 370.17483 187.5
[M]+ 349.19961 184.4
[M]- 349.20071 184.4
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

No patent data available for this compound.