CID 125449127

2-(1-benzyl-4-{[(tert-butoxy)carbonyl]amino}piperidin-4-yl)acetic acid

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CC(C)(C)OC(=O)NC1(CCN(CC1)CC2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C19H28N2O4/c1-18(2,3)25-17(24)20-19(13-16(22)23)9-11-21(12-10-19)14-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,20,24)(H,22,23)
InChIKey
BZNNZZKTTLASPR-UHFFFAOYSA-N
Compound name
2-[1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

348.2049 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 183.7
[M+Na]+ 371.19412 191.3
[M+NH4]+ 366.23872 189.7
[M+K]+ 387.16806 185.6
[M-H]- 347.19762 184.3
[M+Na-2H]- 369.17957 188.9
[M]+ 348.20435 184.7
[M]- 348.20545 184.7
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