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

71
Patents

378.17908 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.18636 188.1
[M+Na]+ 401.16830 190.1
[M-H]- 377.17180 190.8
[M+NH4]+ 396.21290 198.8
[M+K]+ 417.14224 189.5
[M+H-H2O]+ 361.17634 180.5
[M+HCOO]- 423.17728 202.0
[M+CH3COO]- 437.19293 214.0
[M+Na-2H]- 399.15375 189.6
[M]+ 378.17853 187.3
[M]- 378.17963 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