CID 23531039

317365-33-6

Structural Information

Molecular Formula
C18H26N2O5
SMILES
CC(C)(C)OC(=O)N1CCN(C(C1)CO)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H26N2O5/c1-18(2,3)25-16(22)19-9-10-20(15(11-19)12-21)17(23)24-13-14-7-5-4-6-8-14/h4-8,15,21H,9-13H2,1-3H3
InChIKey
UINOMZOGOKYFHD-UHFFFAOYSA-N
Compound name
1-O-benzyl 4-O-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

350.18417 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.19145 183.0
[M+Na]+ 373.17339 191.7
[M+NH4]+ 368.21799 186.9
[M+K]+ 389.14733 188.5
[M-H]- 349.17689 182.2
[M+Na-2H]- 371.15884 186.0
[M]+ 350.18362 183.6
[M]- 350.18472 183.6
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