CID 44890992

886363-59-3

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H26N2O4/c1-18(2,3)24-17(23)19-14-9-11-20(12-10-14)15(16(21)22)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,19,23)(H,21,22)
InChIKey
UPZMQRZINKLLKM-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.18927 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.196546 179.8
[M+Na]+ 357.178488 181.1
[M-H]- 333.181994 182.3
[M+NH4]+ 352.223093 190.4
[M+K]+ 373.152428 179.4
[M+H-H2O]+ 317.186530 171.5
[M+HCOO]- 379.187471 193.4
[M+CH3COO]- 393.203121 209.2
[M+Na-2H]- 355.163936 179.9
[M]+ 334.18872142 176.1
[M]- 334.18981858 176.1
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