CID 1512536

150407-69-5

Structural Information

Molecular Formula
C18H24N2O6
SMILES
CC(C)(C)OC(=O)N1CCN([C@@H](C1)C(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H24N2O6/c1-18(2,3)26-16(23)19-9-10-20(14(11-19)15(21)22)17(24)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKey
MKXMXZZARNRMMQ-AWEZNQCLSA-N
Compound name
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

364.16342 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17070 183.1
[M+Na]+ 387.15264 190.9
[M+NH4]+ 382.19724 185.9
[M+K]+ 403.12658 189.2
[M-H]- 363.15614 181.3
[M+Na-2H]- 385.13809 185.3
[M]+ 364.16287 183.1
[M]- 364.16397 183.1
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