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

1
Patents

334.18927 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19655 179.8
[M+Na]+ 357.17849 181.1
[M-H]- 333.18199 182.3
[M+NH4]+ 352.22309 190.4
[M+K]+ 373.15243 179.4
[M+H-H2O]+ 317.18653 171.5
[M+HCOO]- 379.18747 193.4
[M+CH3COO]- 393.20312 209.2
[M+Na-2H]- 355.16394 179.9
[M]+ 334.18872 176.1
[M]- 334.18982 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