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

88
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 184.4
[M+Na]+ 373.17339 187.8
[M-H]- 349.17689 186.0
[M+NH4]+ 368.21799 193.8
[M+K]+ 389.14733 186.0
[M+H-H2O]+ 333.18143 175.5
[M+HCOO]- 395.18237 196.8
[M+CH3COO]- 409.19802 207.9
[M+Na-2H]- 371.15884 184.6
[M]+ 350.18362 184.2
[M]- 350.18472 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