CID 59376099

1257871-36-5

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCOC(=O)[C@H]1CCCN[C@H]1C2=CC=C(C=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C19H28N2O4/c1-5-24-17(22)15-7-6-12-20-16(15)13-8-10-14(11-9-13)21-18(23)25-19(2,3)4/h8-11,15-16,20H,5-7,12H2,1-4H3,(H,21,23)/t15-,16-/m0/s1
InChIKey
LHPXBYPQNSPNGL-HOTGVXAUSA-N
Compound name
ethyl (2R,3S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

348.2049 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 185.1
[M+Na]+ 371.19412 187.3
[M-H]- 347.19762 187.8
[M+NH4]+ 366.23872 195.6
[M+K]+ 387.16806 184.8
[M+H-H2O]+ 331.20216 176.7
[M+HCOO]- 393.20310 199.3
[M+CH3COO]- 407.21875 211.8
[M+Na-2H]- 369.17957 185.1
[M]+ 348.20435 182.7
[M]- 348.20545 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe