CID 23102716

252720-32-4

Structural Information

Molecular Formula
C19H26N2O6
SMILES
CC(C)(C)OC(=O)NC1(CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C19H26N2O6/c1-18(2,3)27-16(24)20-19(15(22)23)9-11-21(12-10-19)17(25)26-13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,24)(H,22,23)
InChIKey
BGRHKAAVXJAPGP-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

378.17908 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.186356 188.1
[M+Na]+ 401.168298 190.1
[M-H]- 377.171804 190.8
[M+NH4]+ 396.212903 198.8
[M+K]+ 417.142238 189.5
[M+H-H2O]+ 361.176340 180.5
[M+HCOO]- 423.177281 202.0
[M+CH3COO]- 437.192931 214.0
[M+Na-2H]- 399.153746 189.6
[M]+ 378.17853142 187.3
[M]- 378.17962858 187.3
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