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

351
Patents

364.16342 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.170696 184.2
[M+Na]+ 387.152638 187.5
[M-H]- 363.156144 186.0
[M+NH4]+ 382.197243 192.8
[M+K]+ 403.126578 186.4
[M+H-H2O]+ 347.160680 175.5
[M+HCOO]- 409.161621 196.1
[M+CH3COO]- 423.177271 210.3
[M+Na-2H]- 385.138086 183.8
[M]+ 364.16287142 184.3
[M]- 364.16396858 184.3
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