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

94
Patents

350.18417 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.191446 184.4
[M+Na]+ 373.173388 187.8
[M-H]- 349.176894 186.0
[M+NH4]+ 368.217993 193.8
[M+K]+ 389.147328 186.0
[M+H-H2O]+ 333.181430 175.5
[M+HCOO]- 395.182371 196.8
[M+CH3COO]- 409.198021 207.9
[M+Na-2H]- 371.158836 184.6
[M]+ 350.18362142 184.2
[M]- 350.18471858 184.2
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