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

4
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 184.6
[M+Na]+ 371.19412 186.8
[M-H]- 347.19762 187.2
[M+NH4]+ 366.23872 196.8
[M+K]+ 387.16806 184.7
[M+H-H2O]+ 331.20216 176.9
[M+HCOO]- 393.20310 198.9
[M+CH3COO]- 407.21875 210.7
[M+Na-2H]- 369.17957 186.7
[M]+ 348.20435 182.3
[M]- 348.20545 182.3
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